CID 16667385

Germacradienol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]\1CC/C=C(/CC[C@H](/C=C1)C(C)(C)O)\C
InChI
InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+/t13-,14+/m0/s1
InChIKey
ZVZPKUXZGROCDB-IFRRKGDKSA-N
Compound name
2-[(1R,2E,4S,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

11
Patents

222.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 152.0
[M+Na]+ 245.18758 157.2
[M-H]- 221.19108 151.4
[M+NH4]+ 240.23218 167.7
[M+K]+ 261.16152 155.4
[M+H-H2O]+ 205.19562 150.1
[M+HCOO]- 267.19656 168.6
[M+CH3COO]- 281.21221 186.1
[M+Na-2H]- 243.17303 154.0
[M]+ 222.19781 146.7
[M]- 222.19891 146.7
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.