CID 69668

Cyclopent-2-en-1-one-ethyleneacetal

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2(C=C1)OCCO2
InChI
InChI=1S/C7H10O2/c1-2-4-7(3-1)8-5-6-9-7/h1,3H,2,4-6H2
InChIKey
ATFWVBMLTLPOHI-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.4]non-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

354
Patents

126.06808 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 122.9
[M+Na]+ 149.05730 130.0
[M-H]- 125.06080 129.6
[M+NH4]+ 144.10190 147.7
[M+K]+ 165.03124 131.8
[M+H-H2O]+ 109.06534 119.2
[M+HCOO]- 171.06628 145.3
[M+CH3COO]- 185.08193 138.0
[M+Na-2H]- 147.04275 130.9
[M]+ 126.06753 121.5
[M]- 126.06863 121.5
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