CID 24755578

5-(1-hydroxypropan-2-yl)isolongifol-4-ene

Structural Information

Molecular Formula
C18H30O
SMILES
CC(CO)C1=CCC([C@]23C1C([C@H](C2)CC3)(C)C)(C)C
InChI
InChI=1S/C18H30O/c1-12(11-19)14-7-8-16(2,3)18-9-6-13(10-18)17(4,5)15(14)18/h7,12-13,15,19H,6,8-11H2,1-5H3/t12?,13-,15?,18-/m0/s1
InChIKey
LJYDKYKZGGROIV-BGSKQBQJSA-N
Compound name
2-[(1S,8S)-2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-4-enyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.22968 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 166.7
[M+Na]+ 285.21890 174.0
[M-H]- 261.22240 169.7
[M+NH4]+ 280.26350 194.9
[M+K]+ 301.19284 169.2
[M+H-H2O]+ 245.22694 163.5
[M+HCOO]- 307.22788 181.1
[M+CH3COO]- 321.24353 199.0
[M+Na-2H]- 283.20435 167.3
[M]+ 262.22913 165.9
[M]- 262.23023 165.9
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.