CID 84079566

Methyl 1-amino-3-(2-chlorophenyl)cyclobutane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
COC(=O)C1(CC(C1)C2=CC=CC=C2Cl)N
InChI
InChI=1S/C12H14ClNO2/c1-16-11(15)12(14)6-8(7-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7,14H2,1H3
InChIKey
PMCZHTFJDHOBCV-UHFFFAOYSA-N
Compound name
methyl 1-amino-3-(2-chlorophenyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 149.4
[M+Na]+ 262.06052 157.4
[M+NH4]+ 257.10512 155.3
[M+K]+ 278.03446 151.3
[M-H]- 238.06402 150.2
[M+Na-2H]- 260.04597 155.1
[M]+ 239.07075 150.0
[M]- 239.07185 150.0
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.