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

119
Patents

126.079315 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 124.4
[M+Na]+ 149.068533 130.2
[M-H]- 125.072039 124.6
[M+NH4]+ 144.113138 139.8
[M+K]+ 165.042473 130.4
[M+H-H2O]+ 109.076575 114.2
[M+HCOO]- 171.077516 140.9
[M+CH3COO]- 185.093166 166.4
[M+Na-2H]- 147.053981 129.9
[M]+ 126.07876642 126.1
[M]- 126.07986358 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