CID 45090128

Prop-2-en-1-yl cyclopent-1-ene-1-carboxylate

Structural Information

Molecular Formula
C9H12O2
SMILES
C=CCOC(=O)C1=CCCC1
InChI
InChI=1S/C9H12O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,5H,1,3-4,6-7H2
InChIKey
CIDHHOFKKVBARY-UHFFFAOYSA-N
Compound name
prop-2-enyl cyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

152.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 133.3
[M+Na]+ 175.07294 139.9
[M-H]- 151.07644 136.5
[M+NH4]+ 170.11754 156.0
[M+K]+ 191.04688 138.7
[M+H-H2O]+ 135.08098 128.0
[M+HCOO]- 197.08192 156.9
[M+CH3COO]- 211.09757 174.2
[M+Na-2H]- 173.05839 136.9
[M]+ 152.08317 133.2
[M]- 152.08427 133.2
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