CID 177801808

9-methyl-5,9-diazaspiro[3.6]decan-8-one

Structural Information

Molecular Formula
C9H16N2O
SMILES
CN1CC2(CCC2)NCCC1=O
InChI
InChI=1S/C9H16N2O/c1-11-7-9(4-2-5-9)10-6-3-8(11)12/h10H,2-7H2,1H3
InChIKey
RJSRENWYTARDNT-UHFFFAOYSA-N
Compound name
9-methyl-5,9-diazaspiro[3.6]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 135.5
[M+Na]+ 191.115488 139.3
[M-H]- 167.118994 137.7
[M+NH4]+ 186.160093 147.5
[M+K]+ 207.089428 142.2
[M+H-H2O]+ 151.123530 124.9
[M+HCOO]- 213.124471 149.8
[M+CH3COO]- 227.140121 181.1
[M+Na-2H]- 189.100936 140.2
[M]+ 168.12572142 135.0
[M]- 168.12681858 135.0
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

No patent data available for this compound.