CID 43282

60480-09-3

Structural Information

Molecular Formula
C9H18ClNO3
SMILES
CC(C)OCCCNC(=O)OCCCl
InChI
InChI=1S/C9H18ClNO3/c1-8(2)13-6-3-5-11-9(12)14-7-4-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKey
IRJWUNGHVUZNPQ-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(3-propan-2-yloxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09752 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10480 150.6
[M+Na]+ 246.08674 156.4
[M-H]- 222.09024 150.4
[M+NH4]+ 241.13134 169.6
[M+K]+ 262.06068 154.9
[M+H-H2O]+ 206.09478 145.9
[M+HCOO]- 268.09572 169.0
[M+CH3COO]- 282.11137 190.2
[M+Na-2H]- 244.07219 153.4
[M]+ 223.09697 156.3
[M]- 223.09807 156.3
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.