CID 75531182

5-methyl-2,5,7-triazaspiro[3.4]octan-6-one hydrochloride

Structural Information

Molecular Formula
C6H11N3O
SMILES
CN1C(=O)NCC12CNC2
InChI
InChI=1S/C6H11N3O/c1-9-5(10)8-4-6(9)2-7-3-6/h7H,2-4H2,1H3,(H,8,10)
InChIKey
VCSSOKBEBXXSDV-UHFFFAOYSA-N
Compound name
5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 130.8
[M+Na]+ 164.07943 135.4
[M+NH4]+ 159.12403 135.1
[M+K]+ 180.05337 133.2
[M-H]- 140.08293 126.9
[M+Na-2H]- 162.06488 132.5
[M]+ 141.08966 128.9
[M]- 141.09076 128.9
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.