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

98
Patents

116.08373 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 122.2
[M+Na]+ 139.072948 129.2
[M-H]- 115.076454 125.0
[M+NH4]+ 134.117553 146.5
[M+K]+ 155.046888 129.9
[M+H-H2O]+ 99.080990 118.6
[M+HCOO]- 161.081931 143.6
[M+CH3COO]- 175.097581 163.9
[M+Na-2H]- 137.058396 129.6
[M]+ 116.08318142 120.7
[M]- 116.08427858 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