CID 3033799

105310-29-0

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(C)OC(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-10(2)17-13(16)14(8-12(14)9-15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3/t12-,14+/m1/s1
InChIKey
IOQJXUCZTQSCNO-OCCSQVGLSA-N
Compound name
propan-2-yl (1R,2S)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 151.8
[M+Na]+ 256.13081 159.6
[M-H]- 232.13431 158.9
[M+NH4]+ 251.17541 166.4
[M+K]+ 272.10475 157.4
[M+H-H2O]+ 216.13885 146.0
[M+HCOO]- 278.13979 174.1
[M+CH3COO]- 292.15544 196.7
[M+Na-2H]- 254.11626 155.4
[M]+ 233.14104 154.7
[M]- 233.14214 154.7
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.