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

94
Patents

102.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 117.6
[M+Na]+ 125.05730 125.0
[M-H]- 101.06080 120.5
[M+NH4]+ 120.10190 142.4
[M+K]+ 141.03124 125.9
[M+H-H2O]+ 85.065340 114.2
[M+HCOO]- 147.06628 139.3
[M+CH3COO]- 161.08193 160.9
[M+Na-2H]- 123.04275 125.5
[M]+ 102.06753 115.7
[M]- 102.06863 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