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]+ 184.14444 144.9
[M+Na]+ 206.12638 151.1
[M-H]- 182.12988 142.0
[M+NH4]+ 201.17098 164.5
[M+K]+ 222.10032 146.9
[M+H-H2O]+ 166.13442 138.4
[M+HCOO]- 228.13536 156.4
[M+CH3COO]- 242.15101 154.6
[M+Na-2H]- 204.11183 148.3
[M]+ 183.13661 134.5
[M]- 183.13771 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