CID 11105499

32379-10-5

Structural Information

Molecular Formula
C7H14O3
SMILES
CC1(OCC(O1)(C)CO)C
InChI
InChI=1S/C7H14O3/c1-6(2)9-5-7(3,4-8)10-6/h8H,4-5H2,1-3H3
InChIKey
RGBAHPYNXOCIPY-UHFFFAOYSA-N
Compound name
(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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 125.9
[M+Na]+ 169.083518 134.4
[M-H]- 145.087024 129.9
[M+NH4]+ 164.128123 150.0
[M+K]+ 185.057458 136.3
[M+H-H2O]+ 129.091560 123.6
[M+HCOO]- 191.092501 146.2
[M+CH3COO]- 205.108151 170.1
[M+Na-2H]- 167.068966 134.7
[M]+ 146.09375142 127.8
[M]- 146.09484858 127.8
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