CID 84249

14189-85-6

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1=C(C(=O)CC1)OC
InChI
InChI=1S/C7H10O2/c1-5-3-4-6(8)7(5)9-2/h3-4H2,1-2H3
InChIKey
GTEGQQAMGYNDKS-UHFFFAOYSA-N
Compound name
2-methoxy-3-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

126.06808 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 122.4
[M+Na]+ 149.057298 131.7
[M-H]- 125.060804 126.6
[M+NH4]+ 144.101903 146.9
[M+K]+ 165.031238 131.2
[M+H-H2O]+ 109.065340 118.0
[M+HCOO]- 171.066281 147.5
[M+CH3COO]- 185.081931 171.2
[M+Na-2H]- 147.042746 127.2
[M]+ 126.06753142 123.8
[M]- 126.06862858 123.8
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

patents stripe