CID 45840

Brn 0609470

Structural Information

Molecular Formula
C11H20N2O
SMILES
CN1CC2CCC(C1)N2CCCC=O
InChI
InChI=1S/C11H20N2O/c1-12-8-10-4-5-11(9-12)13(10)6-2-3-7-14/h7,10-11H,2-6,8-9H2,1H3
InChIKey
QBIRHXLZDJKXRU-UHFFFAOYSA-N
Compound name
4-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.15756 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.16484 147.4
[M+Na]+ 219.14678 157.0
[M+NH4]+ 214.19138 155.6
[M+K]+ 235.12072 152.0
[M-H]- 195.15028 146.9
[M+Na-2H]- 217.13223 148.4
[M]+ 196.15701 148.3
[M]- 196.15811 148.3
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

No patent data available for this compound.