CID 170915414

3-[(1-aminopropan-2-yl)(methyl)amino]benzoic acid dihydrochloride

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(CN)N(C)C1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C11H16N2O2/c1-8(7-12)13(2)10-5-3-4-9(6-10)11(14)15/h3-6,8H,7,12H2,1-2H3,(H,14,15)
InChIKey
XUFKSXWMNGIPRB-UHFFFAOYSA-N
Compound name
3-[1-aminopropan-2-yl(methyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 147.9
[M+Na]+ 231.110408 153.0
[M-H]- 207.113914 151.0
[M+NH4]+ 226.155013 165.7
[M+K]+ 247.084348 152.2
[M+H-H2O]+ 191.118450 141.2
[M+HCOO]- 253.119391 170.8
[M+CH3COO]- 267.135041 193.6
[M+Na-2H]- 229.095856 150.0
[M]+ 208.12064142 146.6
[M]- 208.12173858 146.6
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.