CID 54593525

Methyl 2-amino-3-ethylbenzoate

Structural Information

Molecular Formula
C10H13NO2
SMILES
CCC1=C(C(=CC=C1)C(=O)OC)N
InChI
InChI=1S/C10H13NO2/c1-3-7-5-4-6-8(9(7)11)10(12)13-2/h4-6H,3,11H2,1-2H3
InChIKey
ORMUAHXMMQWFQP-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-ethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

179.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.0
[M+Na]+ 202.08386 146.1
[M-H]- 178.08736 141.8
[M+NH4]+ 197.12846 158.1
[M+K]+ 218.05780 144.5
[M+H-H2O]+ 162.09190 132.3
[M+HCOO]- 224.09284 162.4
[M+CH3COO]- 238.10849 184.2
[M+Na-2H]- 200.06931 142.3
[M]+ 179.09409 138.8
[M]- 179.09519 138.8
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

patents stripe