CID 115024014

Methyl 2-[4-(1-aminocyclopropyl)phenyl]acetate hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)CC1=CC=C(C=C1)C2(CC2)N
InChI
InChI=1S/C12H15NO2/c1-15-11(14)8-9-2-4-10(5-3-9)12(13)6-7-12/h2-5H,6-8,13H2,1H3
InChIKey
LCWRVPRHLMIUSR-UHFFFAOYSA-N
Compound name
methyl 2-[4-(1-aminocyclopropyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.9
[M+Na]+ 228.09950 152.8
[M-H]- 204.10300 151.3
[M+NH4]+ 223.14410 159.6
[M+K]+ 244.07344 150.5
[M+H-H2O]+ 188.10754 138.2
[M+HCOO]- 250.10848 167.7
[M+CH3COO]- 264.12413 190.1
[M+Na-2H]- 226.08495 149.6
[M]+ 205.10973 146.7
[M]- 205.11083 146.7
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

No patent data available for this compound.