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
3
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]+ 263.200546 168.7
[M+Na]+ 285.182488 173.0
[M-H]- 261.185994 171.2
[M+NH4]+ 280.227093 191.5
[M+K]+ 301.156428 169.3
[M+H-H2O]+ 245.190530 164.4
[M+HCOO]- 307.191471 182.6
[M+CH3COO]- 321.207121 200.6
[M+Na-2H]- 283.167936 165.0
[M]+ 262.19272142 166.2
[M]- 262.19381858 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.