CID 161476

2,6-piperidinedione, 1-methyl-

Structural Information

Molecular Formula
C6H9NO2
SMILES
CN1C(=O)CCCC1=O
InChI
InChI=1S/C6H9NO2/c1-7-5(8)3-2-4-6(7)9/h2-4H2,1H3
InChIKey
VUYOLIKWIVQHBC-UHFFFAOYSA-N
Compound name
1-methylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

633
Patents

127.06333 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 122.7
[M+Na]+ 150.052548 130.7
[M-H]- 126.056054 125.0
[M+NH4]+ 145.097153 143.7
[M+K]+ 166.026488 130.1
[M+H-H2O]+ 110.060590 117.2
[M+HCOO]- 172.061531 143.4
[M+CH3COO]- 186.077181 170.5
[M+Na-2H]- 148.037996 128.3
[M]+ 127.06278142 120.0
[M]- 127.06387858 120.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe