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

13
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 146.5
[M+Na]+ 228.09950 159.3
[M+NH4]+ 223.14410 155.2
[M+K]+ 244.07344 154.5
[M-H]- 204.10300 156.8
[M+Na-2H]- 226.08495 156.1
[M]+ 205.10973 152.2
[M]- 205.11083 152.2
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