CID 14309813

2-ethynylbicyclo[2.2.1]heptan-2-ol

Structural Information

Molecular Formula
C9H12O
SMILES
C#CC1(CC2CCC1C2)O
InChI
InChI=1S/C9H12O/c1-2-9(10)6-7-3-4-8(9)5-7/h1,7-8,10H,3-6H2
InChIKey
DOBPSJXGDUDHTH-UHFFFAOYSA-N
Compound name
2-ethynylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

136.08882 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 133.8
[M+Na]+ 159.078038 145.3
[M-H]- 135.081544 134.8
[M+NH4]+ 154.122643 159.3
[M+K]+ 175.051978 138.2
[M+H-H2O]+ 119.086080 124.6
[M+HCOO]- 181.087021 148.8
[M+CH3COO]- 195.102671 146.1
[M+Na-2H]- 157.063486 137.6
[M]+ 136.08827142 126.5
[M]- 136.08936858 126.5
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