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

45
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 153.0
[M+Na]+ 258.08491 160.7
[M+NH4]+ 253.12951 158.2
[M+K]+ 274.05885 156.7
[M-H]- 234.08841 154.1
[M+Na-2H]- 256.07036 156.9
[M]+ 235.09514 153.7
[M]- 235.09624 153.7
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