CID 118395033

2243509-34-2

Structural Information

Molecular Formula
C9H17N3O
SMILES
CC1(NC(=O)C2(N1)CCNCC2)C
InChI
InChI=1S/C9H17N3O/c1-8(2)11-7(13)9(12-8)3-5-10-6-4-9/h10,12H,3-6H2,1-2H3,(H,11,13)
InChIKey
XTMIYXUZRQBOBU-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 144.9
[M+Na]+ 206.126378 151.1
[M-H]- 182.129884 142.0
[M+NH4]+ 201.170983 164.5
[M+K]+ 222.100318 146.9
[M+H-H2O]+ 166.134420 138.4
[M+HCOO]- 228.135361 156.4
[M+CH3COO]- 242.151011 154.6
[M+Na-2H]- 204.111826 148.3
[M]+ 183.13661142 134.5
[M]- 183.13770858 134.5
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