CID 132992796

3-methoxyazetidine-1-carbonyl chloride

Structural Information

Molecular Formula
C5H8ClNO2
SMILES
COC1CN(C1)C(=O)Cl
InChI
InChI=1S/C5H8ClNO2/c1-9-4-2-7(3-4)5(6)8/h4H,2-3H2,1H3
InChIKey
KAHMVCPHJREBGK-UHFFFAOYSA-N
Compound name
3-methoxyazetidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.02435 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03163 121.6
[M+Na]+ 172.01357 129.5
[M-H]- 148.01707 123.9
[M+NH4]+ 167.05817 136.2
[M+K]+ 187.98751 131.0
[M+H-H2O]+ 132.02161 112.2
[M+HCOO]- 194.02255 138.2
[M+CH3COO]- 208.03820 176.6
[M+Na-2H]- 169.99902 127.1
[M]+ 149.02380 132.3
[M]- 149.02490 132.3
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.