CID 114295135

Tert-butyl n-(1-chloro-2-methylpropan-2-yl)carbamate

Structural Information

Molecular Formula
C9H18ClNO2
SMILES
CC(C)(C)OC(=O)NC(C)(C)CCl
InChI
InChI=1S/C9H18ClNO2/c1-8(2,3)13-7(12)11-9(4,5)6-10/h6H2,1-5H3,(H,11,12)
InChIKey
OSZCIICEKCMEJX-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-chloro-2-methylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.1026 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10988 147.1
[M+Na]+ 230.09182 154.2
[M-H]- 206.09532 147.7
[M+NH4]+ 225.13642 167.2
[M+K]+ 246.06576 152.5
[M+H-H2O]+ 190.09986 143.9
[M+HCOO]- 252.10080 163.1
[M+CH3COO]- 266.11645 187.5
[M+Na-2H]- 228.07727 152.7
[M]+ 207.10205 150.9
[M]- 207.10315 150.9
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.