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 147.7
[M+Na]+ 219.14678 154.0
[M-H]- 195.15028 146.9
[M+NH4]+ 214.19138 168.0
[M+K]+ 235.12072 151.5
[M+H-H2O]+ 179.15482 140.8
[M+HCOO]- 241.15576 163.9
[M+CH3COO]- 255.17141 186.2
[M+Na-2H]- 217.13223 150.7
[M]+ 196.15701 146.5
[M]- 196.15811 146.5
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.