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

20
Patents

136.08882 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 133.8
[M+Na]+ 159.07804 145.3
[M-H]- 135.08154 134.8
[M+NH4]+ 154.12264 159.3
[M+K]+ 175.05198 138.2
[M+H-H2O]+ 119.08608 124.6
[M+HCOO]- 181.08702 148.8
[M+CH3COO]- 195.10267 146.1
[M+Na-2H]- 157.06349 137.6
[M]+ 136.08827 126.5
[M]- 136.08937 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