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

112
Patents

220.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 156.7
[M+Na]+ 243.135548 162.6
[M-H]- 219.139054 162.6
[M+NH4]+ 238.180153 183.5
[M+K]+ 259.109488 160.2
[M+H-H2O]+ 203.143590 152.6
[M+HCOO]- 265.144531 176.8
[M+CH3COO]- 279.160181 187.2
[M+Na-2H]- 241.120996 156.2
[M]+ 220.14578142 155.3
[M]- 220.14687858 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