CID 52988115

1-methyl-1,7-diazaspiro[4.4]nonane dihydrochloride

Structural Information

Molecular Formula
C8H16N2
SMILES
CN1CCCC12CCNC2
InChI
InChI=1S/C8H16N2/c1-10-6-2-3-8(10)4-5-9-7-8/h9H,2-7H2,1H3
InChIKey
ADMXMXNXEITSAX-UHFFFAOYSA-N
Compound name
1-methyl-1,7-diazaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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 133.6
[M+Na]+ 163.120568 139.7
[M-H]- 139.124074 134.7
[M+NH4]+ 158.165173 157.3
[M+K]+ 179.094508 137.8
[M+H-H2O]+ 123.128610 126.9
[M+HCOO]- 185.129551 151.6
[M+CH3COO]- 199.145201 145.8
[M+Na-2H]- 161.106016 136.5
[M]+ 140.13080142 126.5
[M]- 140.13189858 126.5
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