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

3
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 172.6
[M+Na]+ 306.16756 174.4
[M-H]- 282.17106 168.7
[M+NH4]+ 301.21216 186.2
[M+K]+ 322.14150 172.2
[M+H-H2O]+ 266.17560 166.5
[M+HCOO]- 328.17654 188.2
[M+CH3COO]- 342.19219 201.7
[M+Na-2H]- 304.15301 167.9
[M]+ 283.17779 172.1
[M]- 283.17889 172.1
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.