CID 112140

4,7-methanoazulene-8-methanol, decahydro-2-(1-methylethenyl)-, acetate

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(=C)C1CC2C3CCC(C3)C(C2C1)COC(=O)C
InChI
InChI=1S/C17H26O2/c1-10(2)14-7-15-12-4-5-13(6-12)17(16(15)8-14)9-19-11(3)18/h12-17H,1,4-9H2,2-3H3
InChIKey
UXWPXANNVJOPOE-UHFFFAOYSA-N
Compound name
(4-prop-1-en-2-yl-7-tricyclo[6.2.1.02,6]undecanyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 164.8
[M+Na]+ 285.18249 171.8
[M+NH4]+ 280.22709 173.6
[M+K]+ 301.15643 169.4
[M-H]- 261.18599 164.8
[M+Na-2H]- 283.16794 162.6
[M]+ 262.19272 165.4
[M]- 262.19382 165.4
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

No patent data available for this compound.