CID 5284398

N2-gamma-glutamyl-p-hydrazinobenzoic acid

Structural Information

Molecular Formula
C12H15N3O5
SMILES
C1=CC(=CC=C1C(=O)O)NNC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H15N3O5/c13-9(12(19)20)5-6-10(16)15-14-8-3-1-7(2-4-8)11(17)18/h1-4,9,14H,5-6,13H2,(H,15,16)(H,17,18)(H,19,20)/t9-/m0/s1
InChIKey
GCENCHHONAGMNP-VIFPVBQESA-N
Compound name
4-[2-[(4S)-4-amino-4-carboxybutanoyl]hydrazinyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

281.10117 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.108446 161.8
[M+Na]+ 304.090388 164.6
[M-H]- 280.093894 161.8
[M+NH4]+ 299.134993 174.2
[M+K]+ 320.064328 163.5
[M+H-H2O]+ 264.098430 154.2
[M+HCOO]- 326.099371 182.3
[M+CH3COO]- 340.115021 203.0
[M+Na-2H]- 302.075836 161.8
[M]+ 281.10062142 158.4
[M]- 281.10171858 158.4
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.