CID 6826

Methyl 2-(methylamino)benzoate

Structural Information

Molecular Formula
C9H11NO2
SMILES
CNC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
InChIKey
GVOWHGSUZUUUDR-UHFFFAOYSA-N
Compound name
methyl 2-(methylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

27
References

6039
Patents

165.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.2
[M+Na]+ 188.06820 140.8
[M-H]- 164.07170 137.3
[M+NH4]+ 183.11280 153.8
[M+K]+ 204.04214 139.8
[M+H-H2O]+ 148.07624 127.4
[M+HCOO]- 210.07718 158.6
[M+CH3COO]- 224.09283 180.6
[M+Na-2H]- 186.05365 139.8
[M]+ 165.07843 134.3
[M]- 165.07953 134.3
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