CID 361986

Bicyclo[3.3.1]non-6-en-3-ol

Structural Information

Molecular Formula
C9H14O
SMILES
C1C=CC2CC1CC(C2)O
InChI
InChI=1S/C9H14O/c10-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-10H,3-6H2
InChIKey
FNCCOYYDLKENCG-UHFFFAOYSA-N
Compound name
bicyclo[3.3.1]non-6-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 127.7
[M+Na]+ 161.09368 133.3
[M-H]- 137.09718 128.8
[M+NH4]+ 156.13828 150.4
[M+K]+ 177.06762 131.0
[M+H-H2O]+ 121.10172 123.0
[M+HCOO]- 183.10266 144.9
[M+CH3COO]- 197.11831 171.9
[M+Na-2H]- 159.07913 135.1
[M]+ 138.10391 122.6
[M]- 138.10501 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe