CID 55298774

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

Structural Information

Molecular Formula
C8H16N2
SMILES
CN1CCC12CCNCC2
InChI
InChI=1S/C8H16N2/c1-10-7-4-8(10)2-5-9-6-3-8/h9H,2-7H2,1H3
InChIKey
LOCFMACIKGSCOQ-UHFFFAOYSA-N
Compound name
1-methyl-1,7-diazaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

literature stripe

Patent stripe

patents stripe