CID 91883368

5-amino-2-(aminomethyl)benzoic acid dihydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC(=C(C=C1N)C(=O)O)CN
InChI
InChI=1S/C8H10N2O2/c9-4-5-1-2-6(10)3-7(5)8(11)12/h1-3H,4,9-10H2,(H,11,12)
InChIKey
VZEGUMHZILQMNE-UHFFFAOYSA-N
Compound name
5-amino-2-(aminomethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.8
[M+Na]+ 189.063448 141.3
[M-H]- 165.066954 135.8
[M+NH4]+ 184.108053 152.8
[M+K]+ 205.037388 138.9
[M+H-H2O]+ 149.071490 128.1
[M+HCOO]- 211.072431 157.6
[M+CH3COO]- 225.088081 180.9
[M+Na-2H]- 187.048896 137.7
[M]+ 166.07368142 130.2
[M]- 166.07477858 130.2
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

No patent data available for this compound.