CID 520109

1,1-dicyclopropylprop-2-yn-1-ol

Structural Information

Molecular Formula
C9H12O
SMILES
C#CC(C1CC1)(C2CC2)O
InChI
InChI=1S/C9H12O/c1-2-9(10,7-3-4-7)8-5-6-8/h1,7-8,10H,3-6H2
InChIKey
OXBOSLIINGKALV-UHFFFAOYSA-N
Compound name
1,1-dicyclopropylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

136.08882 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 119.8
[M+Na]+ 159.07804 130.8
[M+NH4]+ 154.12264 125.5
[M+K]+ 175.05198 127.6
[M-H]- 135.08154 125.7
[M+Na-2H]- 157.06349 127.8
[M]+ 136.08827 124.1
[M]- 136.08937 124.1
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

patents stripe