CID 177800747

2-methyl-2,4,9-triazaspiro[5.5]undecan-3-one

Structural Information

Molecular Formula
C9H17N3O
SMILES
CN1CC2(CCNCC2)CNC1=O
InChI
InChI=1S/C9H17N3O/c1-12-7-9(6-11-8(12)13)2-4-10-5-3-9/h10H,2-7H2,1H3,(H,11,13)
InChIKey
HZVWSAYEAPDIBL-UHFFFAOYSA-N
Compound name
4-methyl-2,4,9-triazaspiro[5.5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.13716 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.144436 145.6
[M+Na]+ 206.126378 150.2
[M-H]- 182.129884 143.2
[M+NH4]+ 201.170983 161.8
[M+K]+ 222.100318 146.6
[M+H-H2O]+ 166.134420 137.6
[M+HCOO]- 228.135361 156.2
[M+CH3COO]- 242.151011 154.7
[M+Na-2H]- 204.111826 149.9
[M]+ 183.13661142 134.3
[M]- 183.13770858 134.3
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.