CID 13416667

Ethyl 2-methylcyclopent-1-ene-1-carboxylate

Structural Information

Molecular Formula
C9H14O2
SMILES
CCOC(=O)C1=C(CCC1)C
InChI
InChI=1S/C9H14O2/c1-3-11-9(10)8-6-4-5-7(8)2/h3-6H2,1-2H3
InChIKey
OFSLDYNRTCQKFU-UHFFFAOYSA-N
Compound name
ethyl 2-methylcyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

154.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 133.5
[M+Na]+ 177.08860 140.9
[M-H]- 153.09210 137.2
[M+NH4]+ 172.13320 156.6
[M+K]+ 193.06254 140.3
[M+H-H2O]+ 137.09664 128.6
[M+HCOO]- 199.09758 157.0
[M+CH3COO]- 213.11323 176.2
[M+Na-2H]- 175.07405 136.6
[M]+ 154.09883 134.5
[M]- 154.09993 134.5
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