CID 145865084

N-(8'-oxogeranyl)-l-glutamate

Structural Information

Molecular Formula
C15H23NO5
SMILES
C/C(=C\CN[C@@H](CCC(=O)O)C(=O)O)/CC/C=C(\C)/C=O
InChI
InChI=1S/C15H23NO5/c1-11(4-3-5-12(2)10-17)8-9-16-13(15(20)21)6-7-14(18)19/h5,8,10,13,16H,3-4,6-7,9H2,1-2H3,(H,18,19)(H,20,21)/b11-8+,12-5+/t13-/m0/s1
InChIKey
LASAIISDRHGWAN-KCXYUNALSA-N
Compound name
(2S)-2-[[(2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.15762 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16490 173.2
[M+Na]+ 320.14684 175.2
[M-H]- 296.15034 169.3
[M+NH4]+ 315.19144 186.1
[M+K]+ 336.12078 172.9
[M+H-H2O]+ 280.15488 167.0
[M+HCOO]- 342.15582 189.2
[M+CH3COO]- 356.17147 203.0
[M+Na-2H]- 318.13229 168.7
[M]+ 297.15707 173.5
[M]- 297.15817 173.5
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.