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]+ 194.09424 143.6
[M+Na]+ 216.07618 149.9
[M-H]- 192.07968 143.6
[M+NH4]+ 211.12078 163.9
[M+K]+ 232.05012 148.1
[M+H-H2O]+ 176.08422 139.4
[M+HCOO]- 238.08516 162.1
[M+CH3COO]- 252.10081 185.2
[M+Na-2H]- 214.06163 146.9
[M]+ 193.08641 147.4
[M]- 193.08751 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.