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]+ 142.097486 129.7
[M+Na]+ 164.079428 136.3
[M-H]- 140.082934 128.7
[M+NH4]+ 159.124033 143.5
[M+K]+ 180.053368 136.5
[M+H-H2O]+ 124.087470 118.8
[M+HCOO]- 186.088411 144.8
[M+CH3COO]- 200.104061 170.3
[M+Na-2H]- 162.064876 134.2
[M]+ 141.08966142 132.2
[M]- 141.09075858 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.