CID 13224265

75176-85-1

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC(=CC=C1C(C(=O)O)N)N
InChI
InChI=1S/C8H10N2O2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,9-10H2,(H,11,12)
InChIKey
OOASNXLDNAKYSG-UHFFFAOYSA-N
Compound name
2-amino-2-(4-aminophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

166.07423 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 134.5
[M+Na]+ 189.063448 140.8
[M-H]- 165.066954 136.1
[M+NH4]+ 184.108053 153.1
[M+K]+ 205.037388 138.9
[M+H-H2O]+ 149.071490 128.5
[M+HCOO]- 211.072431 157.3
[M+CH3COO]- 225.088081 180.6
[M+Na-2H]- 187.048896 137.8
[M]+ 166.07368142 129.8
[M]- 166.07477858 129.8
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