CID 11768512

2-(oxiran-2-yl)propan-2-ol

Structural Information

Molecular Formula
C5H10O2
SMILES
CC(C)(C1CO1)O
InChI
InChI=1S/C5H10O2/c1-5(2,6)4-3-7-4/h4,6H,3H2,1-2H3
InChIKey
GDUKJERMEWMMMD-UHFFFAOYSA-N
Compound name
2-(oxiran-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

102.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 118.4
[M+Na]+ 125.057298 128.1
[M-H]- 101.060804 123.0
[M+NH4]+ 120.101903 135.1
[M+K]+ 141.031238 128.3
[M+H-H2O]+ 85.065340 113.7
[M+HCOO]- 147.066281 139.4
[M+CH3COO]- 161.081931 168.1
[M+Na-2H]- 123.042746 127.9
[M]+ 102.06753142 121.8
[M]- 102.06862858 121.8
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