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

18
Patents

207.06622 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07350 144.1
[M+Na]+ 230.05544 151.2
[M-H]- 206.05894 144.6
[M+NH4]+ 225.10004 163.9
[M+K]+ 246.02938 149.8
[M+H-H2O]+ 190.06348 140.5
[M+HCOO]- 252.06442 161.6
[M+CH3COO]- 266.08007 185.9
[M+Na-2H]- 228.04089 148.3
[M]+ 207.06567 148.2
[M]- 207.06677 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