CID 15731323

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

Structural Information

Molecular Formula
C8H14ClNO3
SMILES
CC(C)(C)OC(=O)NCC(=O)CCl
InChI
InChI=1S/C8H14ClNO3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h4-5H2,1-3H3,(H,10,12)
InChIKey
UCZJERMRQOJXHU-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-chloro-2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

207.06622 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.073496 144.1
[M+Na]+ 230.055438 151.2
[M-H]- 206.058944 144.6
[M+NH4]+ 225.100043 163.9
[M+K]+ 246.029378 149.8
[M+H-H2O]+ 190.063480 140.5
[M+HCOO]- 252.064421 161.6
[M+CH3COO]- 266.080071 185.9
[M+Na-2H]- 228.040886 148.3
[M]+ 207.06567142 148.2
[M]- 207.06676858 148.2
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