CID 545701

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

Structural Information

Molecular Formula
C8H17NO3
SMILES
CC(CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)
InChIKey
PDAFIZPRSXHMCO-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-hydroxypropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2521
Patents

175.12085 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 140.9
[M+Na]+ 198.11007 146.5
[M-H]- 174.11357 139.9
[M+NH4]+ 193.15467 160.5
[M+K]+ 214.08401 147.0
[M+H-H2O]+ 158.11811 136.4
[M+HCOO]- 220.11905 161.0
[M+CH3COO]- 234.13470 180.5
[M+Na-2H]- 196.09552 144.8
[M]+ 175.12030 141.8
[M]- 175.12140 141.8
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