CID 129858455

8-cyclopropyloctanal

Structural Information

Molecular Formula
C11H20O
SMILES
C1CC1CCCCCCCC=O
InChI
InChI=1S/C11H20O/c12-10-6-4-2-1-3-5-7-11-8-9-11/h10-11H,1-9H2
InChIKey
RFIRCJLMHIORAB-UHFFFAOYSA-N
Compound name
8-cyclopropyloctanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 140.9
[M+Na]+ 191.140628 148.3
[M-H]- 167.144134 144.8
[M+NH4]+ 186.185233 156.8
[M+K]+ 207.114568 145.7
[M+H-H2O]+ 151.148670 134.5
[M+HCOO]- 213.149611 163.9
[M+CH3COO]- 227.165261 185.2
[M+Na-2H]- 189.126076 146.0
[M]+ 168.15086142 145.8
[M]- 168.15195858 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.