CID 57416912

2,6-diazaspiro[3.4]octan-7-one

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1C(=O)NCC12CNC2
InChI
InChI=1S/C6H10N2O/c9-5-1-6(4-8-5)2-7-3-6/h7H,1-4H2,(H,8,9)
InChIKey
GZTLCSVTDYAMCZ-UHFFFAOYSA-N
Compound name
2,6-diazaspiro[3.4]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

126.079315 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 124.4
[M+Na]+ 149.06853 130.2
[M-H]- 125.07204 124.6
[M+NH4]+ 144.11314 139.8
[M+K]+ 165.04247 130.4
[M+H-H2O]+ 109.07658 114.2
[M+HCOO]- 171.07752 140.9
[M+CH3COO]- 185.09317 166.4
[M+Na-2H]- 147.05398 129.9
[M]+ 126.07877 126.1
[M]- 126.07986 126.1
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