CID 134822212

N-geranyl-l-glutamate

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C
InChI
InChI=1S/C15H25NO4/c1-11(2)5-4-6-12(3)9-10-16-13(15(19)20)7-8-14(17)18/h5,9,13,16H,4,6-8,10H2,1-3H3,(H,17,18)(H,19,20)/b12-9+/t13-/m0/s1
InChIKey
WRAUYKHQSOIVEN-SRXBQZRASA-N
Compound name
(2S)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

283.17834 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 171.6
[M+Na]+ 306.16756 175.5
[M+NH4]+ 301.21216 174.1
[M+K]+ 322.14150 173.3
[M-H]- 282.17106 166.7
[M+Na-2H]- 304.15301 168.7
[M]+ 283.17779 169.9
[M]- 283.17889 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe