CID 129626758

5-hydroxy-alpha-gurjunene

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)C3([C@@H]1CCC3C)O
InChI
InChI=1S/C15H26O/c1-9-5-7-12-13(14(12,3)4)15(16)10(2)6-8-11(9)15/h9-13,16H,5-8H2,1-4H3/t9-,10?,11-,12-,13+,15?/m1/s1
InChIKey
OHFMYRJCMYNZKO-KUKPGQNJSA-N
Compound name
(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7,7b-octahydro-1aH-cyclopropa[e]azulen-7a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 146.5
[M+Na]+ 245.18758 154.3
[M-H]- 221.19108 152.2
[M+NH4]+ 240.23218 166.1
[M+K]+ 261.16152 152.7
[M+H-H2O]+ 205.19562 143.9
[M+HCOO]- 267.19656 160.6
[M+CH3COO]- 281.21221 158.0
[M+Na-2H]- 243.17303 149.3
[M]+ 222.19781 144.7
[M]- 222.19891 144.7
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

No patent data available for this compound.