CID 137963819

Methyl 3-(chloromethyl)-1-cyclopropylazetidine-3-carboxylate

Structural Information

Molecular Formula
C9H14ClNO2
SMILES
COC(=O)C1(CN(C1)C2CC2)CCl
InChI
InChI=1S/C9H14ClNO2/c1-13-8(12)9(4-10)5-11(6-9)7-2-3-7/h7H,2-6H2,1H3
InChIKey
HOYCBSUMMDOXPI-UHFFFAOYSA-N
Compound name
methyl 3-(chloromethyl)-1-cyclopropylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0713 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07858 140.3
[M+Na]+ 226.06052 148.7
[M-H]- 202.06402 146.1
[M+NH4]+ 221.10512 150.1
[M+K]+ 242.03446 148.8
[M+H-H2O]+ 186.06856 130.9
[M+HCOO]- 248.06950 155.8
[M+CH3COO]- 262.08515 189.4
[M+Na-2H]- 224.04597 144.9
[M]+ 203.07075 153.3
[M]- 203.07185 153.3
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.