CID 13532961

Tert-butyl n-(4-chloro-3-oxobutan-2-yl)carbamate

Structural Information

Molecular Formula
C9H16ClNO3
SMILES
CC(C(=O)CCl)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H16ClNO3/c1-6(7(12)5-10)11-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,11,13)
InChIKey
SUMIWORFUZTLFW-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-chloro-3-oxobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

221.08188 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08916 148.2
[M+Na]+ 244.07110 154.7
[M-H]- 220.07460 148.6
[M+NH4]+ 239.11570 167.4
[M+K]+ 260.04504 153.5
[M+H-H2O]+ 204.07914 144.6
[M+HCOO]- 266.08008 164.4
[M+CH3COO]- 280.09573 189.8
[M+Na-2H]- 242.05655 150.7
[M]+ 221.08133 152.1
[M]- 221.08243 152.1
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

patents stripe