CID 58531234

9-azaspiro[5.6]dodecane

Structural Information

Molecular Formula
C11H21N
SMILES
C1CCC2(CC1)CCCNCC2
InChI
InChI=1S/C11H21N/c1-2-5-11(6-3-1)7-4-9-12-10-8-11/h12H,1-10H2
InChIKey
ZWAATVZJDIHKSZ-UHFFFAOYSA-N
Compound name
9-azaspiro[5.6]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

167.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.17468 138.7
[M+Na]+ 190.15662 139.1
[M-H]- 166.16012 140.7
[M+NH4]+ 185.20122 157.0
[M+K]+ 206.13056 139.5
[M+H-H2O]+ 150.16466 131.8
[M+HCOO]- 212.16560 152.0
[M+CH3COO]- 226.18125 148.0
[M+Na-2H]- 188.14207 143.4
[M]+ 167.16685 124.7
[M]- 167.16795 124.7
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