CID 75531159

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

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1C2(CN1)CNC(=O)N2
InChI
InChI=1S/C5H9N3O/c9-4-7-3-5(8-4)1-6-2-5/h6H,1-3H2,(H2,7,8,9)
InChIKey
FBEGJTXDAHQEAI-UHFFFAOYSA-N
Compound name
2,5,7-triazaspiro[3.4]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

127.07456 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 126.6
[M+Na]+ 150.063778 132.4
[M-H]- 126.067284 124.1
[M+NH4]+ 145.108383 139.9
[M+K]+ 166.037718 132.0
[M+H-H2O]+ 110.071820 115.7
[M+HCOO]- 172.072761 140.6
[M+CH3COO]- 186.088411 164.0
[M+Na-2H]- 148.049226 131.8
[M]+ 127.07401142 126.6
[M]- 127.07510858 126.6
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