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

100
Patents

187.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 142.8
[M+Na]+ 210.110068 150.7
[M-H]- 186.113574 148.1
[M+NH4]+ 205.154673 156.7
[M+K]+ 226.084008 150.6
[M+H-H2O]+ 170.118110 136.9
[M+HCOO]- 232.119051 164.4
[M+CH3COO]- 246.134701 186.8
[M+Na-2H]- 208.095516 149.7
[M]+ 187.12030142 148.6
[M]- 187.12139858 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