CID 357955

Tert-butyl n-(2-oxopropyl)carbamate

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C8H15NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h5H2,1-4H3,(H,9,11)
InChIKey
OZGMUQGCAFEQOX-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

224
Patents

173.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 138.5
[M+Na]+ 196.094418 144.8
[M-H]- 172.097924 139.0
[M+NH4]+ 191.139023 158.8
[M+K]+ 212.068358 145.6
[M+H-H2O]+ 156.102460 133.9
[M+HCOO]- 218.103401 160.3
[M+CH3COO]- 232.119051 182.1
[M+Na-2H]- 194.079866 143.1
[M]+ 173.10465142 140.7
[M]- 173.10574858 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe