CID 58520778

Tert-butyl n-[2-(oxiran-2-yl)ethyl]carbamate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)NCCC1CO1
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-5-4-7-6-12-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKey
AGXXALHNKAMKSX-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(oxiran-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

187.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.8
[M+Na]+ 210.11007 150.7
[M-H]- 186.11357 148.1
[M+NH4]+ 205.15467 156.7
[M+K]+ 226.08401 150.6
[M+H-H2O]+ 170.11811 136.9
[M+HCOO]- 232.11905 164.4
[M+CH3COO]- 246.13470 186.8
[M+Na-2H]- 208.09552 149.7
[M]+ 187.12030 148.6
[M]- 187.12140 148.6
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