CID 6445771

Alpha-santalol acetate

Structural Information

Molecular Formula
C17H26O2
SMILES
C/C(=C/CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)/COC(=O)C
InChI
InChI=1S/C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4/h6,13-15H,5,7-10H2,1-4H3/b11-6-/t13?,14-,15+,16-,17?/m1/s1
InChIKey
IXRPKRWXUJOOBZ-AVMVYAPKSA-N
Compound name
[(Z)-5-[(1S,3R,6R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

262.19327 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 160.1
[M+Na]+ 285.18249 168.0
[M+NH4]+ 280.22709 172.4
[M+K]+ 301.15643 165.1
[M-H]- 261.18599 164.7
[M+Na-2H]- 283.16794 160.9
[M]+ 262.19272 163.8
[M]- 262.19382 163.8
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