CID 66570377

1-methyl-1,8-diazaspiro[4.5]decan-2-one dihydrochloride

Structural Information

Molecular Formula
C9H16N2O
SMILES
CN1C(=O)CCC12CCNCC2
InChI
InChI=1S/C9H16N2O/c1-11-8(12)2-3-9(11)4-6-10-7-5-9/h10H,2-7H2,1H3
InChIKey
WSHZHUWNJGPKTE-UHFFFAOYSA-N
Compound name
1-methyl-1,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

168.12627 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 139.3
[M+Na]+ 191.115488 145.3
[M-H]- 167.118994 140.2
[M+NH4]+ 186.160093 160.3
[M+K]+ 207.089428 142.7
[M+H-H2O]+ 151.123530 132.5
[M+HCOO]- 213.124471 155.1
[M+CH3COO]- 227.140121 173.6
[M+Na-2H]- 189.100936 142.6
[M]+ 168.12572142 131.5
[M]- 168.12681858 131.5
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