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 168.7
[M+Na]+ 285.18249 173.0
[M-H]- 261.18599 171.2
[M+NH4]+ 280.22709 191.5
[M+K]+ 301.15643 169.3
[M+H-H2O]+ 245.19053 164.4
[M+HCOO]- 307.19147 182.6
[M+CH3COO]- 321.20712 200.6
[M+Na-2H]- 283.16794 165.0
[M]+ 262.19272 166.2
[M]- 262.19382 166.2
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.