CID 43273

Isopentylcarbamic acid 2-chloroethyl ester

Structural Information

Molecular Formula
C8H16ClNO2
SMILES
CC(C)CCNC(=O)OCCCl
InChI
InChI=1S/C8H16ClNO2/c1-7(2)3-5-10-8(11)12-6-4-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
FEVLZVPDOYMPQW-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(3-methylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08696 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.094236 143.6
[M+Na]+ 216.076178 149.9
[M-H]- 192.079684 143.6
[M+NH4]+ 211.120783 163.9
[M+K]+ 232.050118 148.1
[M+H-H2O]+ 176.084220 139.4
[M+HCOO]- 238.085161 162.1
[M+CH3COO]- 252.100811 185.2
[M+Na-2H]- 214.061626 146.9
[M]+ 193.08641142 147.4
[M]- 193.08750858 147.4
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.