CID 137964014

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

Structural Information

Molecular Formula
C8H14ClNO2
SMILES
CCN1CC(C1)(CCl)C(=O)OC
InChI
InChI=1S/C8H14ClNO2/c1-3-10-5-8(4-9,6-10)7(11)12-2/h3-6H2,1-2H3
InChIKey
CPJZJZCUFZBYNG-UHFFFAOYSA-N
Compound name
methyl 3-(chloromethyl)-1-ethylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0713 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07858 135.9
[M+Na]+ 214.06052 143.3
[M-H]- 190.06402 138.1
[M+NH4]+ 209.10512 150.9
[M+K]+ 230.03446 144.2
[M+H-H2O]+ 174.06856 127.3
[M+HCOO]- 236.06950 151.5
[M+CH3COO]- 250.08515 184.9
[M+Na-2H]- 212.04597 140.8
[M]+ 191.07075 148.0
[M]- 191.07185 148.0
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.