CID 55348

85467-58-9

Structural Information

Molecular Formula
C14H19NO2
SMILES
CN(C)C[C@H]1C[C@@]1(C2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C14H19NO2/c1-15(2)10-12-9-14(12,13(16)17-3)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,14+/m1/s1
InChIKey
CCQJUHLFBCSHNT-OCCSQVGLSA-N
Compound name
methyl (1R,2S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.8
[M+Na]+ 256.13081 160.9
[M-H]- 232.13431 161.7
[M+NH4]+ 251.17541 168.2
[M+K]+ 272.10475 160.0
[M+H-H2O]+ 216.13885 146.5
[M+HCOO]- 278.13979 177.0
[M+CH3COO]- 292.15544 199.8
[M+Na-2H]- 254.11626 157.7
[M]+ 233.14104 158.4
[M]- 233.14214 158.4
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.