CID 30176

Diethylcarbamic acid 2-chloroethyl ester

Structural Information

Molecular Formula
C7H14ClNO2
SMILES
CCN(CC)C(=O)OCCCl
InChI
InChI=1S/C7H14ClNO2/c1-3-9(4-2)7(10)11-6-5-8/h3-6H2,1-2H3
InChIKey
PTINMKIBBSJQMM-UHFFFAOYSA-N
Compound name
2-chloroethyl N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.0713 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07858 138.3
[M+Na]+ 202.06052 145.5
[M-H]- 178.06402 140.0
[M+NH4]+ 197.10512 159.9
[M+K]+ 218.03446 144.9
[M+H-H2O]+ 162.06856 134.1
[M+HCOO]- 224.06950 158.6
[M+CH3COO]- 238.08515 184.9
[M+Na-2H]- 200.04597 142.7
[M]+ 179.07075 143.7
[M]- 179.07185 143.7
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

patents stripe