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 129.7
[M+Na]+ 164.07943 136.3
[M-H]- 140.08293 128.7
[M+NH4]+ 159.12403 143.5
[M+K]+ 180.05337 136.5
[M+H-H2O]+ 124.08747 118.8
[M+HCOO]- 186.08841 144.8
[M+CH3COO]- 200.10406 170.3
[M+Na-2H]- 162.06488 134.2
[M]+ 141.08966 132.2
[M]- 141.09076 132.2
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.