CID 20374538

(4,4-dimethyl-1,3-dioxan-5-yl)methanol

Structural Information

Molecular Formula
C7H14O3
SMILES
CC1(C(COCO1)CO)C
InChI
InChI=1S/C7H14O3/c1-7(2)6(3-8)4-9-5-10-7/h6,8H,3-5H2,1-2H3
InChIKey
CLOFLDZIKBYHST-UHFFFAOYSA-N
Compound name
(4,4-dimethyl-1,3-dioxan-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

146.0943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 129.2
[M+Na]+ 169.083518 135.8
[M-H]- 145.087024 132.7
[M+NH4]+ 164.128123 149.4
[M+K]+ 185.057458 137.9
[M+H-H2O]+ 129.091560 125.0
[M+HCOO]- 191.092501 147.4
[M+CH3COO]- 205.108151 170.6
[M+Na-2H]- 167.068966 137.6
[M]+ 146.09375142 128.6
[M]- 146.09484858 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe