CID 5743389

Methyl 2-(2-aminophenyl)acetate hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
COC(=O)CC1=CC=CC=C1N
InChI
InChI=1S/C9H11NO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3
InChIKey
BWQBYHGDMBHIIQ-UHFFFAOYSA-N
Compound name
methyl 2-(2-aminophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

165.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.9
[M+Na]+ 188.06820 141.4
[M-H]- 164.07170 137.4
[M+NH4]+ 183.11280 154.1
[M+K]+ 204.04214 140.1
[M+H-H2O]+ 148.07624 128.0
[M+HCOO]- 210.07718 158.6
[M+CH3COO]- 224.09283 179.9
[M+Na-2H]- 186.05365 139.4
[M]+ 165.07843 133.9
[M]- 165.07953 133.9
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