CID 161476

1-methylpiperidine-2,6-dione

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

609
Patents

127.06333 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 122.7
[M+Na]+ 150.05255 130.7
[M-H]- 126.05605 125.0
[M+NH4]+ 145.09715 143.7
[M+K]+ 166.02649 130.1
[M+H-H2O]+ 110.06059 117.2
[M+HCOO]- 172.06153 143.4
[M+CH3COO]- 186.07718 170.5
[M+Na-2H]- 148.03800 128.3
[M]+ 127.06278 120.0
[M]- 127.06388 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