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 155.3
[M+Na]+ 243.17193 163.6
[M-H]- 219.17543 160.4
[M+NH4]+ 238.21653 184.4
[M+K]+ 259.14587 159.3
[M+H-H2O]+ 203.17997 152.5
[M+HCOO]- 265.18091 174.4
[M+CH3COO]- 279.19656 168.3
[M+Na-2H]- 241.15738 155.3
[M]+ 220.18216 154.2
[M]- 220.18326 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