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

6
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

literature stripe

Patent stripe

patents stripe