CID 53994016

2-cycloheptylacetaldehyde

Structural Information

Molecular Formula
C9H16O
SMILES
C1CCCC(CC1)CC=O
InChI
InChI=1S/C9H16O/c10-8-7-9-5-3-1-2-4-6-9/h8-9H,1-7H2
InChIKey
KGUSYCRGABWRNU-UHFFFAOYSA-N
Compound name
2-cycloheptylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

140.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 126.0
[M+Na]+ 163.10934 128.6
[M-H]- 139.11284 129.6
[M+NH4]+ 158.15394 145.8
[M+K]+ 179.08328 131.5
[M+H-H2O]+ 123.11738 121.5
[M+HCOO]- 185.11832 145.8
[M+CH3COO]- 199.13397 176.0
[M+Na-2H]- 161.09479 131.1
[M]+ 140.11957 119.4
[M]- 140.12067 119.4
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