CID 11480585

3-[(1,1-dimethoxypropan-2-yl)oxy]prop-1-yne

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(C(OC)OC)OCC#C
InChI
InChI=1S/C8H14O3/c1-5-6-11-7(2)8(9-3)10-4/h1,7-8H,6H2,2-4H3
InChIKey
VFQIDUSEQNIBIW-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-2-prop-2-ynoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 130.9
[M+Na]+ 181.083518 139.4
[M-H]- 157.087024 130.6
[M+NH4]+ 176.128123 149.7
[M+K]+ 197.057458 139.6
[M+H-H2O]+ 141.091560 120.2
[M+HCOO]- 203.092501 147.6
[M+CH3COO]- 217.108151 187.6
[M+Na-2H]- 179.068966 134.4
[M]+ 158.09375142 129.8
[M]- 158.09484858 129.8
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.