CID 89261

Methyl cyclopent-2-ene-1-acetate

Structural Information

Molecular Formula
C8H12O2
SMILES
COC(=O)CC1CCC=C1
InChI
InChI=1S/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h2,4,7H,3,5-6H2,1H3
InChIKey
NGMGARDIUOMOGH-UHFFFAOYSA-N
Compound name
methyl 2-cyclopent-2-en-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

140.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.9
[M+Na]+ 163.072938 136.6
[M-H]- 139.076444 133.3
[M+NH4]+ 158.117543 153.1
[M+K]+ 179.046878 136.3
[M+H-H2O]+ 123.080980 124.7
[M+HCOO]- 185.081921 153.7
[M+CH3COO]- 199.097571 172.1
[M+Na-2H]- 161.058386 134.1
[M]+ 140.08317142 130.1
[M]- 140.08426858 130.1
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