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

58
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 122.8
[M+Na]+ 139.07295 132.6
[M+NH4]+ 134.11755 133.0
[M+K]+ 155.04689 127.8
[M-H]- 115.07645 124.8
[M+Na-2H]- 137.05840 128.3
[M]+ 116.08318 124.7
[M]- 116.08428 124.7
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