CID 129762183

Ethyl 1-methylcyclohex-2-ene-1-carboxylate

Structural Information

Molecular Formula
C10H16O2
SMILES
CCOC(=O)C1(CCCC=C1)C
InChI
InChI=1S/C10H16O2/c1-3-12-9(11)10(2)7-5-4-6-8-10/h5,7H,3-4,6,8H2,1-2H3
InChIKey
BNDNXSZXHPDKDY-UHFFFAOYSA-N
Compound name
ethyl 1-methylcyclohex-2-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 137.4
[M+Na]+ 191.104258 143.3
[M-H]- 167.107764 140.6
[M+NH4]+ 186.148863 159.8
[M+K]+ 207.078198 142.9
[M+H-H2O]+ 151.112300 132.5
[M+HCOO]- 213.113241 158.5
[M+CH3COO]- 227.128891 178.0
[M+Na-2H]- 189.089706 143.0
[M]+ 168.11449142 136.6
[M]- 168.11558858 136.6
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