CID 13922254

4-[(methylamino)methyl]benzoic acid hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
CNCC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-10-6-7-2-4-8(5-3-7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey
FWVHRCVITNUYFV-UHFFFAOYSA-N
Compound name
4-(methylaminomethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

165.07898 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.7
[M+Na]+ 188.06820 140.7
[M-H]- 164.07170 136.2
[M+NH4]+ 183.11280 153.3
[M+K]+ 204.04214 138.7
[M+H-H2O]+ 148.07624 128.0
[M+HCOO]- 210.07718 157.4
[M+CH3COO]- 224.09283 178.7
[M+Na-2H]- 186.05365 139.7
[M]+ 165.07843 132.8
[M]- 165.07953 132.8
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