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

14
Patents

140.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 137.6
[M+Na]+ 163.109338 144.0
[M-H]- 139.112844 143.6
[M+NH4]+ 158.153943 147.1
[M+K]+ 179.083278 142.6
[M+H-H2O]+ 123.117380 131.9
[M+HCOO]- 185.118321 156.4
[M+CH3COO]- 199.133971 187.4
[M+Na-2H]- 161.094786 140.9
[M]+ 140.11957142 140.2
[M]- 140.12066858 140.2
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