CID 55352

85467-61-4

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)OC(=O)[C@@]1(C[C@@H]1CN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-12(2)19-15(18)16(10-14(16)11-17(3)4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t14-,16+/m1/s1
InChIKey
CSRPYNBEDKFUTC-ZBFHGGJFSA-N
Compound name
propan-2-yl (1R,2S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 160.5
[M+Na]+ 284.16210 167.5
[M-H]- 260.16560 169.1
[M+NH4]+ 279.20670 174.8
[M+K]+ 300.13604 166.6
[M+H-H2O]+ 244.17014 154.1
[M+HCOO]- 306.17108 183.1
[M+CH3COO]- 320.18673 206.3
[M+Na-2H]- 282.14755 163.3
[M]+ 261.17233 166.2
[M]- 261.17343 166.2
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

No patent data available for this compound.