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

3
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 155.3
[M+Na]+ 243.171928 163.6
[M-H]- 219.175434 160.4
[M+NH4]+ 238.216533 184.4
[M+K]+ 259.145868 159.3
[M+H-H2O]+ 203.179970 152.5
[M+HCOO]- 265.180911 174.4
[M+CH3COO]- 279.196561 168.3
[M+Na-2H]- 241.157376 155.3
[M]+ 220.18216142 154.2
[M]- 220.18325858 154.2
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

patents stripe