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
2
Annotation Hits

0
References

914
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

literature stripe

Patent stripe

patents stripe