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

15
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 137.4
[M+Na]+ 201.06345 143.0
[M-H]- 177.06695 140.4
[M+NH4]+ 196.10805 156.1
[M+K]+ 217.03739 141.5
[M+H-H2O]+ 161.07149 130.8
[M+HCOO]- 223.07243 162.2
[M+CH3COO]- 237.08808 183.9
[M+Na-2H]- 199.04890 142.5
[M]+ 178.07368 134.8
[M]- 178.07478 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