CID 131173229

Methyl 1-benzyl-3-(chloromethyl)azetidine-3-carboxylate

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
COC(=O)C1(CN(C1)CC2=CC=CC=C2)CCl
InChI
InChI=1S/C13H16ClNO2/c1-17-12(16)13(8-14)9-15(10-13)7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKey
QBKSVOVZGRLOSR-UHFFFAOYSA-N
Compound name
methyl 1-benzyl-3-(chloromethyl)azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 151.4
[M+Na]+ 276.07618 160.1
[M+NH4]+ 271.12078 156.9
[M+K]+ 292.05012 153.4
[M-H]- 252.07968 151.2
[M+Na-2H]- 274.06163 157.5
[M]+ 253.08641 151.8
[M]- 253.08751 151.8
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.