CID 145740391

N-(7'-carboxy-7'-demethylgeranyl)-l-glutamate

Structural Information

Molecular Formula
C15H23NO6
SMILES
C/C(=C\CN[C@@H](CCC(=O)O)C(=O)O)/CC/C=C(\C)/C(=O)O
InChI
InChI=1S/C15H23NO6/c1-10(4-3-5-11(2)14(19)20)8-9-16-12(15(21)22)6-7-13(17)18/h5,8,12,16H,3-4,6-7,9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b10-8+,11-5+/t12-/m0/s1
InChIKey
GLOMHRXTBJVWKY-UIZYFNENSA-N
Compound name
(2S)-2-[[(2E,6E)-7-carboxy-3-methylocta-2,6-dienyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.15253 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15981 175.8
[M+Na]+ 336.14175 176.9
[M-H]- 312.14525 170.5
[M+NH4]+ 331.18635 183.3
[M+K]+ 352.11569 175.2
[M+H-H2O]+ 296.14979 169.6
[M+HCOO]- 358.15073 189.5
[M+CH3COO]- 372.16638 204.0
[M+Na-2H]- 334.12720 169.7
[M]+ 313.15198 174.9
[M]- 313.15308 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.