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

80
Patents

127.07456 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 126.6
[M+Na]+ 150.06378 132.4
[M-H]- 126.06728 124.1
[M+NH4]+ 145.10838 139.9
[M+K]+ 166.03772 132.0
[M+H-H2O]+ 110.07182 115.7
[M+HCOO]- 172.07276 140.6
[M+CH3COO]- 186.08841 164.0
[M+Na-2H]- 148.04923 131.8
[M]+ 127.07401 126.6
[M]- 127.07511 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