CID 87205180

(4s)-2,2-dimethyl-4-(prop-2-yn-1-yl)-1,3-dioxolane

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1(OC[C@@H](O1)CC#C)C
InChI
InChI=1S/C8H12O2/c1-4-5-7-6-9-8(2,3)10-7/h1,7H,5-6H2,2-3H3/t7-/m0/s1
InChIKey
PKMSZPUQMROGLY-ZETCQYMHSA-N
Compound name
(4S)-2,2-dimethyl-4-prop-2-ynyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

140.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 122.1
[M+Na]+ 163.07294 133.0
[M-H]- 139.07644 125.5
[M+NH4]+ 158.11754 142.7
[M+K]+ 179.04688 131.9
[M+H-H2O]+ 123.08098 112.2
[M+HCOO]- 185.08192 138.2
[M+CH3COO]- 199.09757 181.4
[M+Na-2H]- 161.05839 129.0
[M]+ 140.08317 118.4
[M]- 140.08427 118.4
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