CID 12253800

3-methyloxan-3-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1(CCCOC1)O
InChI
InChI=1S/C6H12O2/c1-6(7)3-2-4-8-5-6/h7H,2-5H2,1H3
InChIKey
JUQXHRNZEMUHEI-UHFFFAOYSA-N
Compound name
3-methyloxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 122.3
[M+Na]+ 139.07295 128.4
[M-H]- 115.07645 125.0
[M+NH4]+ 134.11755 144.7
[M+K]+ 155.04689 129.3
[M+H-H2O]+ 99.080990 118.2
[M+HCOO]- 161.08193 141.5
[M+CH3COO]- 175.09758 164.2
[M+Na-2H]- 137.05840 130.8
[M]+ 116.08318 118.8
[M]- 116.08428 118.8
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