CID 139022369

2137631-21-9

Structural Information

Molecular Formula
C9H14O
SMILES
C1C2CC(C1CO)C3C2C3
InChI
InChI=1S/C9H14O/c10-4-6-1-5-2-7(6)9-3-8(5)9/h5-10H,1-4H2
InChIKey
WYMQSKOGYPUXDN-UHFFFAOYSA-N
Compound name
6-tricyclo[3.2.1.02,4]octanylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 129.3
[M+Na]+ 161.093678 139.7
[M-H]- 137.097184 132.8
[M+NH4]+ 156.138283 151.7
[M+K]+ 177.067618 135.2
[M+H-H2O]+ 121.101720 125.7
[M+HCOO]- 183.102661 148.4
[M+CH3COO]- 197.118311 143.0
[M+Na-2H]- 159.079126 133.9
[M]+ 138.10391142 131.1
[M]- 138.10500858 131.1
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

No patent data available for this compound.