CID 20838842

85232-76-4

Structural Information

Molecular Formula
C14H22O
SMILES
CCC(/C(=C/C1CC2CC1(C=C2)C)/C)O
InChI
InChI=1S/C14H22O/c1-4-13(15)10(2)7-12-8-11-5-6-14(12,3)9-11/h5-7,11-13,15H,4,8-9H2,1-3H3/b10-7+
InChIKey
HBRAQFPKBXTVBT-JXMROGBWSA-N
Compound name
(E)-2-methyl-1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

206.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 155.2
[M+Na]+ 229.15629 161.3
[M-H]- 205.15979 156.5
[M+NH4]+ 224.20089 180.8
[M+K]+ 245.13023 157.9
[M+H-H2O]+ 189.16433 151.6
[M+HCOO]- 251.16527 173.1
[M+CH3COO]- 265.18092 186.4
[M+Na-2H]- 227.14174 155.4
[M]+ 206.16652 154.3
[M]- 206.16762 154.3
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

patents stripe