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]+ 159.10158 130.9
[M+Na]+ 181.08352 139.4
[M-H]- 157.08702 130.6
[M+NH4]+ 176.12812 149.7
[M+K]+ 197.05746 139.6
[M+H-H2O]+ 141.09156 120.2
[M+HCOO]- 203.09250 147.6
[M+CH3COO]- 217.10815 187.6
[M+Na-2H]- 179.06897 134.4
[M]+ 158.09375 129.8
[M]- 158.09485 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.