CID 72218568

1393576-68-5

Structural Information

Molecular Formula
C8H12O
SMILES
C#CCC1CCOCC1
InChI
InChI=1S/C8H12O/c1-2-3-8-4-6-9-7-5-8/h1,8H,3-7H2
InChIKey
ZRTBMDNVIADGDM-UHFFFAOYSA-N
Compound name
4-prop-2-ynyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

124.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 122.1
[M+Na]+ 147.078028 130.2
[M-H]- 123.081534 124.3
[M+NH4]+ 142.122633 140.7
[M+K]+ 163.051968 128.3
[M+H-H2O]+ 107.086070 111.1
[M+HCOO]- 169.087011 137.0
[M+CH3COO]- 183.102661 179.1
[M+Na-2H]- 145.063476 128.7
[M]+ 124.08826142 114.1
[M]- 124.08935858 114.1
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