CID 90658292

Pentalen-13-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CCC2C13CC(CC3C=C2CO)(C)C
InChI
InChI=1S/C15H24O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,10,12-13,16H,4-5,7-9H2,1-3H3/t10-,12?,13?,15?/m1/s1
InChIKey
UUWZJPBRBCIXLA-ZBFOYUMQSA-N
Compound name
[(2R)-2,10,10-trimethyl-6-tricyclo[6.3.0.01,5]undec-6-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.7
[M+Na]+ 243.17193 159.8
[M+NH4]+ 238.21653 164.3
[M+K]+ 259.14587 155.2
[M-H]- 219.17543 153.5
[M+Na-2H]- 241.15738 155.6
[M]+ 220.18216 153.5
[M]- 220.18326 153.5
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.