CID 45917

63979-50-0

Structural Information

Molecular Formula
C9H18O3
SMILES
CC1(OCC(O1)CO)C(C)(C)C
InChI
InChI=1S/C9H18O3/c1-8(2,3)9(4)11-6-7(5-10)12-9/h7,10H,5-6H2,1-4H3
InChIKey
BBWWZOFDJOJRFA-UHFFFAOYSA-N
Compound name
(2-tert-butyl-2-methyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 137.0
[M+Na]+ 197.11482 144.2
[M-H]- 173.11832 140.5
[M+NH4]+ 192.15942 158.2
[M+K]+ 213.08876 145.9
[M+H-H2O]+ 157.12286 134.2
[M+HCOO]- 219.12380 155.1
[M+CH3COO]- 233.13945 176.1
[M+Na-2H]- 195.10027 144.3
[M]+ 174.12505 138.6
[M]- 174.12615 138.6
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

No patent data available for this compound.