CID 69951056

4-[(4-(aminoiminomethyl)phenyl)amino]-4-oxobutanoic acid hydrochloride

Structural Information

Molecular Formula
C11H13N3O3
SMILES
C1=CC(=CC=C1C=NN)NC(=O)CCC(=O)O
InChI
InChI=1S/C11H13N3O3/c12-13-7-8-1-3-9(4-2-8)14-10(15)5-6-11(16)17/h1-4,7H,5-6,12H2,(H,14,15)(H,16,17)
InChIKey
DYLWWOZRGDGTFG-UHFFFAOYSA-N
Compound name
4-(4-methanehydrazonoylanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

235.09569 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 151.4
[M+Na]+ 258.08491 156.5
[M-H]- 234.08841 154.5
[M+NH4]+ 253.12951 167.7
[M+K]+ 274.05885 154.6
[M+H-H2O]+ 218.09295 144.0
[M+HCOO]- 280.09389 177.0
[M+CH3COO]- 294.10954 197.1
[M+Na-2H]- 256.07036 155.2
[M]+ 235.09514 149.8
[M]- 235.09624 149.8
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