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]+ 169.15869 140.9
[M+Na]+ 191.14063 148.3
[M-H]- 167.14413 144.8
[M+NH4]+ 186.18523 156.8
[M+K]+ 207.11457 145.7
[M+H-H2O]+ 151.14867 134.5
[M+HCOO]- 213.14961 163.9
[M+CH3COO]- 227.16526 185.2
[M+Na-2H]- 189.12608 146.0
[M]+ 168.15086 145.8
[M]- 168.15196 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.