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

20
Patents

167.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.174676 138.7
[M+Na]+ 190.156618 139.1
[M-H]- 166.160124 140.7
[M+NH4]+ 185.201223 157.0
[M+K]+ 206.130558 139.5
[M+H-H2O]+ 150.164660 131.8
[M+HCOO]- 212.165601 152.0
[M+CH3COO]- 226.181251 148.0
[M+Na-2H]- 188.142066 143.4
[M]+ 167.16685142 124.7
[M]- 167.16794858 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