CID 545705

Tert-butyl n-(1-oxopropan-2-yl)carbamate

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)
InChIKey
OEQRZPWMXXJEKU-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-oxopropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1058
Patents

173.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.5
[M+Na]+ 196.09442 144.8
[M-H]- 172.09792 139.0
[M+NH4]+ 191.13902 158.8
[M+K]+ 212.06836 145.6
[M+H-H2O]+ 156.10246 133.9
[M+HCOO]- 218.10340 160.3
[M+CH3COO]- 232.11905 182.1
[M+Na-2H]- 194.07987 143.1
[M]+ 173.10465 140.7
[M]- 173.10575 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