CID 64915372

1-(tetrahydro-2h-pyran-4-yl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C8H12O2
SMILES
C#CC(C1CCOCC1)O
InChI
InChI=1S/C8H12O2/c1-2-8(9)7-3-5-10-6-4-7/h1,7-9H,3-6H2
InChIKey
HDXROGRWHNYCID-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 127.6
[M+Na]+ 163.07294 135.1
[M-H]- 139.07644 128.6
[M+NH4]+ 158.11754 144.9
[M+K]+ 179.04688 133.2
[M+H-H2O]+ 123.08098 116.6
[M+HCOO]- 185.08192 140.4
[M+CH3COO]- 199.09757 179.2
[M+Na-2H]- 161.05839 132.3
[M]+ 140.08317 118.5
[M]- 140.08427 118.5
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