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]+ 298.164896 173.2
[M+Na]+ 320.146838 175.2
[M-H]- 296.150344 169.3
[M+NH4]+ 315.191443 186.1
[M+K]+ 336.120778 172.9
[M+H-H2O]+ 280.154880 167.0
[M+HCOO]- 342.155821 189.2
[M+CH3COO]- 356.171471 203.0
[M+Na-2H]- 318.132286 168.7
[M]+ 297.15707142 173.5
[M]- 297.15816858 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.