CID 13487335

(2-methyloxolan-3-yl)methanol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1C(CCO1)CO
InChI
InChI=1S/C6H12O2/c1-5-6(4-7)2-3-8-5/h5-7H,2-4H2,1H3
InChIKey
AIXNAFSAZMLNHH-UHFFFAOYSA-N
Compound name
(2-methyloxolan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

116.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 122.7
[M+Na]+ 139.072948 129.7
[M-H]- 115.076454 125.5
[M+NH4]+ 134.117553 145.3
[M+K]+ 155.046888 130.2
[M+H-H2O]+ 99.080990 118.5
[M+HCOO]- 161.081931 144.0
[M+CH3COO]- 175.097581 165.5
[M+Na-2H]- 137.058396 128.2
[M]+ 116.08318142 121.3
[M]- 116.08427858 121.3
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