CID 12931501

(2-methyloxolan-2-yl)methanol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1(CCCO1)CO
InChI
InChI=1S/C6H12O2/c1-6(5-7)3-2-4-8-6/h7H,2-5H2,1H3
InChIKey
TWICKCMBBYBITR-UHFFFAOYSA-N
Compound name
(2-methyloxolan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

116.08373 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 122.2
[M+Na]+ 139.07295 129.2
[M-H]- 115.07645 125.0
[M+NH4]+ 134.11755 146.5
[M+K]+ 155.04689 129.9
[M+H-H2O]+ 99.080990 118.6
[M+HCOO]- 161.08193 143.6
[M+CH3COO]- 175.09758 163.9
[M+Na-2H]- 137.05840 129.6
[M]+ 116.08318 120.7
[M]- 116.08428 120.7
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