CID 47002625

7-methyl-1,7-diazaspiro[3.5]nonane

Structural Information

Molecular Formula
C8H16N2
SMILES
CN1CCC2(CCN2)CC1
InChI
InChI=1S/C8H16N2/c1-10-6-3-8(4-7-10)2-5-9-8/h9H,2-7H2,1H3
InChIKey
OWFQLZVALHPYAC-UHFFFAOYSA-N
Compound name
7-methyl-1,7-diazaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

140.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 130.5
[M+Na]+ 163.120568 135.2
[M-H]- 139.124074 131.4
[M+NH4]+ 158.165173 144.5
[M+K]+ 179.094508 136.1
[M+H-H2O]+ 123.128610 119.3
[M+HCOO]- 185.129551 145.5
[M+CH3COO]- 199.145201 174.0
[M+Na-2H]- 161.106016 137.0
[M]+ 140.13080142 131.9
[M]- 140.13189858 131.9
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