CID 572865

3-isolongifolol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CCCC2(C3C1C(C2CO)CC3)C)C
InChI
InChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3
InChIKey
VZJHQHUOVIDRCF-UHFFFAOYSA-N
Compound name
(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 155.4
[M+Na]+ 245.187578 161.0
[M-H]- 221.191084 159.3
[M+NH4]+ 240.232183 181.4
[M+K]+ 261.161518 157.6
[M+H-H2O]+ 205.195620 152.1
[M+HCOO]- 267.196561 170.3
[M+CH3COO]- 281.212211 166.6
[M+Na-2H]- 243.173026 156.4
[M]+ 222.19781142 150.3
[M]- 222.19890858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe