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

6
Patents

281.10117 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10845 161.8
[M+Na]+ 304.09039 164.6
[M-H]- 280.09389 161.8
[M+NH4]+ 299.13499 174.2
[M+K]+ 320.06433 163.5
[M+H-H2O]+ 264.09843 154.2
[M+HCOO]- 326.09937 182.3
[M+CH3COO]- 340.11502 203.0
[M+Na-2H]- 302.07584 161.8
[M]+ 281.10062 158.4
[M]- 281.10172 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

patents stripe