CID 114302662

Tert-butyl n-(3-chloro-2-methylpropyl)carbamate

Structural Information

Molecular Formula
C9H18ClNO2
SMILES
CC(CNC(=O)OC(C)(C)C)CCl
InChI
InChI=1S/C9H18ClNO2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)
InChIKey
AZSHSNYYJAVIDC-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-chloro-2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.1026 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10988 147.1
[M+Na]+ 230.09182 155.7
[M+NH4]+ 225.13642 153.9
[M+K]+ 246.06576 151.4
[M-H]- 206.09532 145.5
[M+Na-2H]- 228.07727 149.4
[M]+ 207.10205 147.9
[M]- 207.10315 147.9
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.