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 137.6
[M+Na]+ 163.10934 144.0
[M-H]- 139.11284 143.6
[M+NH4]+ 158.15394 147.1
[M+K]+ 179.08328 142.6
[M+H-H2O]+ 123.11738 131.9
[M+HCOO]- 185.11832 156.4
[M+CH3COO]- 199.13397 187.4
[M+Na-2H]- 161.09479 140.9
[M]+ 140.11957 140.2
[M]- 140.12067 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