CID 54378971

1,3-dicyclopropylpropan-2-ol

Structural Information

Molecular Formula
C9H16O
SMILES
C1CC1CC(CC2CC2)O
InChI
InChI=1S/C9H16O/c10-9(5-7-1-2-7)6-8-3-4-8/h7-10H,1-6H2
InChIKey
UYOSTXIRQHMYID-UHFFFAOYSA-N
Compound name
1,3-dicyclopropylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

140.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 114.5
[M+Na]+ 163.10934 125.8
[M+NH4]+ 158.15394 123.3
[M+K]+ 179.08328 125.0
[M-H]- 139.11284 128.2
[M+Na-2H]- 161.09479 125.4
[M]+ 140.11957 121.8
[M]- 140.12067 121.8
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