CID 16784234

Methyl 4-[(cyclopropylamino)methyl]benzoate hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1=CC=C(C=C1)CNC2CC2
InChI
InChI=1S/C12H15NO2/c1-15-12(14)10-4-2-9(3-5-10)8-13-11-6-7-11/h2-5,11,13H,6-8H2,1H3
InChIKey
GHFXQTMLDGZHPW-UHFFFAOYSA-N
Compound name
methyl 4-[(cyclopropylamino)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

205.11028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.0
[M+Na]+ 228.09950 151.2
[M-H]- 204.10300 150.6
[M+NH4]+ 223.14410 157.1
[M+K]+ 244.07344 148.3
[M+H-H2O]+ 188.10754 136.1
[M+HCOO]- 250.10848 167.9
[M+CH3COO]- 264.12413 191.2
[M+Na-2H]- 226.08495 148.7
[M]+ 205.10973 146.3
[M]- 205.11083 146.3
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