CID 25245123

Germacra-1(10),4,11(13)-trien-12-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C\CC/C(=C/C[C@@H](CC1)C(=C)CO)/C
InChI
InChI=1S/C15H24O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15-16H,3-4,6-7,9-11H2,1-2H3/b12-5+,13-8+/t15-/m1/s1
InChIKey
NDZJCEAHBZKIDU-KGSGWQTPSA-N
Compound name
2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.7
[M+Na]+ 243.17193 156.5
[M-H]- 219.17543 150.8
[M+NH4]+ 238.21653 167.2
[M+K]+ 259.14587 154.1
[M+H-H2O]+ 203.17997 149.3
[M+HCOO]- 265.18091 169.0
[M+CH3COO]- 279.19656 185.7
[M+Na-2H]- 241.15738 151.6
[M]+ 220.18216 145.5
[M]- 220.18326 145.5
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