CID 2763375

32683-07-1

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1=CC=C(C=C1)C(=NCC(=O)O)N
InChI
InChI=1S/C9H10N2O2/c10-9(11-6-8(12)13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)(H,12,13)
InChIKey
ZDTNJTKQGYFSCI-UHFFFAOYSA-N
Compound name
2-[[amino(phenyl)methylidene]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 137.4
[M+Na]+ 201.063448 143.0
[M-H]- 177.066954 140.4
[M+NH4]+ 196.108053 156.1
[M+K]+ 217.037388 141.5
[M+H-H2O]+ 161.071490 130.8
[M+HCOO]- 223.072431 162.2
[M+CH3COO]- 237.088081 183.9
[M+Na-2H]- 199.048896 142.5
[M]+ 178.07368142 134.8
[M]- 178.07477858 134.8
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