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

44
Patents

140.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 133.6
[M+Na]+ 163.12057 139.7
[M-H]- 139.12407 134.7
[M+NH4]+ 158.16517 157.3
[M+K]+ 179.09451 137.8
[M+H-H2O]+ 123.12861 126.9
[M+HCOO]- 185.12955 151.6
[M+CH3COO]- 199.14520 145.8
[M+Na-2H]- 161.10602 136.5
[M]+ 140.13080 126.5
[M]- 140.13190 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