CID 3429262

13580-09-1

Structural Information

Molecular Formula
C9H14O3
SMILES
CC1(OCC(O1)COCC#C)C
InChI
InChI=1S/C9H14O3/c1-4-5-10-6-8-7-11-9(2,3)12-8/h1,8H,5-7H2,2-3H3
InChIKey
YIHVCVPUPCJWLF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

170.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 128.3
[M+Na]+ 193.083518 138.8
[M-H]- 169.087024 131.6
[M+NH4]+ 188.128123 147.9
[M+K]+ 209.057458 138.0
[M+H-H2O]+ 153.091560 118.2
[M+HCOO]- 215.092501 144.4
[M+CH3COO]- 229.108151 185.9
[M+Na-2H]- 191.068966 134.9
[M]+ 170.09375142 126.4
[M]- 170.09484858 126.4
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