CID 75356055

Tert-butyl n-[2-(2-chloroethoxy)ethyl]carbamate

Structural Information

Molecular Formula
C9H18ClNO3
SMILES
CC(C)(C)OC(=O)NCCOCCCl
InChI
InChI=1S/C9H18ClNO3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7H2,1-3H3,(H,11,12)
InChIKey
CQKNBFSGUYYDSR-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-chloroethoxy)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09752 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10480 150.6
[M+Na]+ 246.08674 157.1
[M-H]- 222.09024 150.7
[M+NH4]+ 241.13134 169.8
[M+K]+ 262.06068 155.6
[M+H-H2O]+ 206.09478 146.5
[M+HCOO]- 268.09572 168.4
[M+CH3COO]- 282.11137 189.0
[M+Na-2H]- 244.07219 155.4
[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.