CID 16456

2-chloroethyl carbamate

Structural Information

Molecular Formula
C3H6ClNO2
SMILES
C(CCl)OC(=O)N
InChI
InChI=1S/C3H6ClNO2/c4-1-2-7-3(5)6/h1-2H2,(H2,5,6)
InChIKey
LIJLYNWYKULUHA-UHFFFAOYSA-N
Compound name
2-chloroethyl carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

842
Patents

123.008705 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.01598 120.1
[M+Na]+ 145.99792 128.6
[M-H]- 122.00143 120.3
[M+NH4]+ 141.04253 142.8
[M+K]+ 161.97186 127.3
[M+H-H2O]+ 106.00596 116.8
[M+HCOO]- 168.00691 140.5
[M+CH3COO]- 182.02256 169.3
[M+Na-2H]- 143.98337 126.3
[M]+ 123.00816 121.7
[M]- 123.00925 121.7
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.