CID 121494099

Qm-657

Structural Information

Molecular Formula
C16H22O3
SMILES
CC(=C)C(=O)OCCOC1C[C@@H]2C[C@H]1C3C2CC=C3
InChI
InChI=1S/C16H22O3/c1-10(2)16(17)19-7-6-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h3,5,11-15H,1,4,6-9H2,2H3/t11-,12?,13?,14-,15?/m0/s1
InChIKey
YSAZPIOUAPMLDG-PJQWEWFWSA-N
Compound name
2-[[(1S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enyl]oxy]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.1569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16418 163.4
[M+Na]+ 285.14612 169.5
[M+NH4]+ 280.19072 171.5
[M+K]+ 301.12006 169.7
[M-H]- 261.14962 162.4
[M+Na-2H]- 283.13157 161.2
[M]+ 262.15635 163.5
[M]- 262.15745 163.5
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