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]+ 223.205636 146.5
[M+Na]+ 245.187578 154.3
[M-H]- 221.191084 152.2
[M+NH4]+ 240.232183 166.1
[M+K]+ 261.161518 152.7
[M+H-H2O]+ 205.195620 143.9
[M+HCOO]- 267.196561 160.6
[M+CH3COO]- 281.212211 158.0
[M+Na-2H]- 243.173026 149.3
[M]+ 222.19781142 144.7
[M]- 222.19890858 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.