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
3
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]+ 207.174346 155.2
[M+Na]+ 229.156288 161.3
[M-H]- 205.159794 156.5
[M+NH4]+ 224.200893 180.8
[M+K]+ 245.130228 157.9
[M+H-H2O]+ 189.164330 151.6
[M+HCOO]- 251.165271 173.1
[M+CH3COO]- 265.180921 186.4
[M+Na-2H]- 227.141736 155.4
[M]+ 206.16652142 154.3
[M]- 206.16761858 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