CID 24755577

5-(2-hydroxyethyl)isolongifol-4-ene

Structural Information

Molecular Formula
C17H28O
SMILES
CC1(CC=C(C2[C@@]13CC[C@@H](C3)C2(C)C)CCO)C
InChI
InChI=1S/C17H28O/c1-15(2)8-5-12(7-10-18)14-16(3,4)13-6-9-17(14,15)11-13/h5,13-14,18H,6-11H2,1-4H3/t13-,14?,17-/m0/s1
InChIKey
FGNGZCVKAOROFW-PYCCJBKGSA-N
Compound name
2-[(1S,8S)-2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-4-enyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.21402 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.22130 161.7
[M+Na]+ 271.20324 169.9
[M-H]- 247.20674 164.9
[M+NH4]+ 266.24784 190.6
[M+K]+ 287.17718 164.7
[M+H-H2O]+ 231.21128 158.3
[M+HCOO]- 293.21222 177.6
[M+CH3COO]- 307.22787 195.2
[M+Na-2H]- 269.18869 164.1
[M]+ 248.21347 161.3
[M]- 248.21457 161.3
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.