CID 115024014

2445785-44-2

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 147.7
[M+Na]+ 228.09950 160.6
[M+NH4]+ 223.14410 157.8
[M+K]+ 244.07344 154.3
[M-H]- 204.10300 158.1
[M+Na-2H]- 226.08495 158.5
[M]+ 205.10973 153.7
[M]- 205.11083 153.7
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.