CID 167724

(3,3-dimethyloxiran-2-yl)methanol

Structural Information

Molecular Formula
C5H10O2
SMILES
CC1(C(O1)CO)C
InChI
InChI=1S/C5H10O2/c1-5(2)4(3-6)7-5/h4,6H,3H2,1-2H3
InChIKey
HJXAWVLTVYGIBH-UHFFFAOYSA-N
Compound name
(3,3-dimethyloxiran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

102.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 118.3
[M+Na]+ 125.05730 129.1
[M-H]- 101.06080 123.4
[M+NH4]+ 120.10190 137.1
[M+K]+ 141.03124 129.8
[M+H-H2O]+ 85.065340 114.4
[M+HCOO]- 147.06628 140.3
[M+CH3COO]- 161.08193 168.5
[M+Na-2H]- 123.04275 127.6
[M]+ 102.06753 122.9
[M]- 102.06863 122.9
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