CID 24755576

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

Structural Information

Molecular Formula
C19H32O
SMILES
CCC(CO)C1=CCC([C@]23C1C([C@H](C2)CC3)(C)C)(C)C
InChI
InChI=1S/C19H32O/c1-6-13(12-20)15-8-9-17(2,3)19-10-7-14(11-19)18(4,5)16(15)19/h8,13-14,16,20H,6-7,9-12H2,1-5H3/t13?,14-,16?,19-/m0/s1
InChIKey
DJQHGOGCJXFILM-UOQGFUMSSA-N
Compound name
2-[(1S,8S)-2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-4-enyl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.24533 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 171.1
[M+Na]+ 299.23455 178.0
[M-H]- 275.23805 173.9
[M+NH4]+ 294.27915 198.8
[M+K]+ 315.20849 173.0
[M+H-H2O]+ 259.24259 167.8
[M+HCOO]- 321.24353 185.2
[M+CH3COO]- 335.25918 201.9
[M+Na-2H]- 297.22000 171.3
[M]+ 276.24478 170.7
[M]- 276.24588 170.7
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.