CID 13613775

2-(prop-2-en-1-yl)oxolane

Structural Information

Molecular Formula
C7H12O
SMILES
C=CCC1CCCO1
InChI
InChI=1S/C7H12O/c1-2-4-7-5-3-6-8-7/h2,7H,1,3-6H2
InChIKey
XZDANOMTLOHFOZ-UHFFFAOYSA-N
Compound name
2-prop-2-enyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

112.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 122.9
[M+Na]+ 135.07803 129.3
[M-H]- 111.08153 126.6
[M+NH4]+ 130.12263 146.0
[M+K]+ 151.05197 129.5
[M+H-H2O]+ 95.086070 118.2
[M+HCOO]- 157.08701 145.4
[M+CH3COO]- 171.10266 167.3
[M+Na-2H]- 133.06348 129.0
[M]+ 112.08826 121.2
[M]- 112.08936 121.2
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