CID 9793710

3-methyloxolan-3-ol

Structural Information

Molecular Formula
C5H10O2
SMILES
CC1(CCOC1)O
InChI
InChI=1S/C5H10O2/c1-5(6)2-3-7-4-5/h6H,2-4H2,1H3
InChIKey
OLCMEOZFMPJHCK-UHFFFAOYSA-N
Compound name
3-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

102.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 117.6
[M+Na]+ 125.057298 125.0
[M-H]- 101.060804 120.5
[M+NH4]+ 120.101903 142.4
[M+K]+ 141.031238 125.9
[M+H-H2O]+ 85.065340 114.2
[M+HCOO]- 147.066281 139.3
[M+CH3COO]- 161.081931 160.9
[M+Na-2H]- 123.042746 125.5
[M]+ 102.06753142 115.7
[M]- 102.06862858 115.7
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