CID 11564485

3-methyl-2-azaspiro[4.4]nonane

Structural Information

Molecular Formula
C9H17N
SMILES
CC1CC2(CCCC2)CN1
InChI
InChI=1S/C9H17N/c1-8-6-9(7-10-8)4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKey
NPBBRURTAYRIQO-UHFFFAOYSA-N
Compound name
3-methyl-2-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 134.4
[M+Na]+ 162.12532 140.1
[M-H]- 138.12882 136.8
[M+NH4]+ 157.16992 159.5
[M+K]+ 178.09926 137.8
[M+H-H2O]+ 122.13336 128.7
[M+HCOO]- 184.13430 153.3
[M+CH3COO]- 198.14995 146.9
[M+Na-2H]- 160.11077 136.9
[M]+ 139.13555 127.1
[M]- 139.13665 127.1
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