CID 59824639

(3-methyloxan-3-yl)methanol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1(CCCOC1)CO
InChI
InChI=1S/C7H14O2/c1-7(5-8)3-2-4-9-6-7/h8H,2-6H2,1H3
InChIKey
ZDUYVBQDMRAWBD-UHFFFAOYSA-N
Compound name
(3-methyloxan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

130.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 126.9
[M+Na]+ 153.08860 132.5
[M-H]- 129.09210 129.4
[M+NH4]+ 148.13320 148.8
[M+K]+ 169.06254 133.2
[M+H-H2O]+ 113.09664 122.6
[M+HCOO]- 175.09758 145.8
[M+CH3COO]- 189.11323 167.2
[M+Na-2H]- 151.07405 134.9
[M]+ 130.09883 123.7
[M]- 130.09993 123.7
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