CID 3033800

105310-30-3

Structural Information

Molecular Formula
C14H18ClNO2
SMILES
CC(C)OC(=O)[C@@]1(C[C@@H]1CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18ClNO2/c1-9(2)18-13(17)14(7-11(14)8-16)10-3-5-12(15)6-4-10/h3-6,9,11H,7-8,16H2,1-2H3/t11-,14+/m1/s1
InChIKey
HPWBSFGMHDSQJZ-RISCZKNCSA-N
Compound name
propan-2-yl (1R,2S)-2-(aminomethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1026 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10988 155.0
[M+Na]+ 290.09182 164.1
[M-H]- 266.09532 162.1
[M+NH4]+ 285.13642 169.3
[M+K]+ 306.06576 160.1
[M+H-H2O]+ 250.09986 150.2
[M+HCOO]- 312.10080 172.9
[M+CH3COO]- 326.11645 201.4
[M+Na-2H]- 288.07727 157.6
[M]+ 267.10205 160.2
[M]- 267.10315 160.2
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.