CID 174897

72089-07-7

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(=O)OC1(CCCC2C1C3CC2C=C3)C
InChI
InChI=1S/C14H20O2/c1-9(15)16-14(2)7-3-4-12-10-5-6-11(8-10)13(12)14/h5-6,10-13H,3-4,7-8H2,1-2H3
InChIKey
HSLYLHLFKJXFCS-UHFFFAOYSA-N
Compound name
(3-methyl-3-tricyclo[6.2.1.02,7]undec-9-enyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

220.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 154.2
[M+Na]+ 243.135548 161.1
[M-H]- 219.139054 157.7
[M+NH4]+ 238.180153 180.9
[M+K]+ 259.109488 158.0
[M+H-H2O]+ 203.143590 150.2
[M+HCOO]- 265.144531 171.7
[M+CH3COO]- 279.160181 189.6
[M+Na-2H]- 241.120996 156.0
[M]+ 220.14578142 153.4
[M]- 220.14687858 153.4
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