CID 97534

Tert-butyl n-hydroxycarbamate

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(C)(C)OC(=O)NO
InChI
InChI=1S/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)
InChIKey
DRDVJQOGFWAVLH-UHFFFAOYSA-N
Compound name
tert-butyl N-hydroxycarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3171
Patents

133.0739 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.0
[M+Na]+ 156.063118 134.1
[M-H]- 132.066624 126.5
[M+NH4]+ 151.107723 148.3
[M+K]+ 172.037058 134.8
[M+H-H2O]+ 116.071160 123.0
[M+HCOO]- 178.072101 149.1
[M+CH3COO]- 192.087751 170.4
[M+Na-2H]- 154.048566 133.8
[M]+ 133.07335142 127.4
[M]- 133.07444858 127.4
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