CID 21960938

369648-89-5

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1(CCCC1)OC(=O)C2CC3CC2C=C3
InChI
InChI=1S/C14H20O2/c1-14(6-2-3-7-14)16-13(15)12-9-10-4-5-11(12)8-10/h4-5,10-12H,2-3,6-9H2,1H3
InChIKey
KRJJDXSTPKETCM-UHFFFAOYSA-N
Compound name
(1-methylcyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

121
Patents

220.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 156.7
[M+Na]+ 243.13555 162.6
[M-H]- 219.13905 162.6
[M+NH4]+ 238.18015 183.5
[M+K]+ 259.10949 160.2
[M+H-H2O]+ 203.14359 152.6
[M+HCOO]- 265.14453 176.8
[M+CH3COO]- 279.16018 187.2
[M+Na-2H]- 241.12100 156.2
[M]+ 220.14578 155.3
[M]- 220.14688 155.3
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