CID 6484070

3-[(dimethylamino)methyl]benzoic acid hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
CN(C)CC1=CC(=CC=C1)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-11(2)7-8-4-3-5-9(6-8)10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey
JOHOBHQNCZAHOU-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

102
Patents

179.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.6
[M+Na]+ 202.08386 149.9
[M+NH4]+ 197.12846 146.5
[M+K]+ 218.05780 144.8
[M-H]- 178.08736 140.6
[M+Na-2H]- 200.06931 144.9
[M]+ 179.09409 140.6
[M]- 179.09519 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe