CID 417412

3-azaspiro[5.5]undecane

Structural Information

Molecular Formula
C10H19N
SMILES
C1CCC2(CC1)CCNCC2
InChI
InChI=1S/C10H19N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h11H,1-9H2
InChIKey
LIZKZVQBLDHKCY-UHFFFAOYSA-N
Compound name
3-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2139
Patents

153.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.159026 137.9
[M+Na]+ 176.140968 140.2
[M-H]- 152.144474 139.0
[M+NH4]+ 171.185573 158.3
[M+K]+ 192.114908 137.7
[M+H-H2O]+ 136.149010 131.0
[M+HCOO]- 198.149951 152.1
[M+CH3COO]- 212.165601 148.2
[M+Na-2H]- 174.126416 143.6
[M]+ 153.15120142 126.1
[M]- 153.15229858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe