CID 5352847

Germacrene d-4-ol

Structural Information

Molecular Formula
C15H26O
SMILES
C/C/1=C\CCC(/C=C/C(CC1)C(C)C)(C)O
InChI
InChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6+
InChIKey
RHCTXHCNRLCYBN-BMCYRRRCSA-N
Compound name
(2E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

222.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 152.6
[M+Na]+ 245.187578 158.0
[M-H]- 221.191084 152.1
[M+NH4]+ 240.232183 170.2
[M+K]+ 261.161518 156.5
[M+H-H2O]+ 205.195620 151.0
[M+HCOO]- 267.196561 169.7
[M+CH3COO]- 281.212211 186.1
[M+Na-2H]- 243.173026 153.6
[M]+ 222.19781142 147.4
[M]- 222.19890858 147.4
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