CID 95856

64635-91-2

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CCCC1(C(C(=O)NC(=O)C1C#N)C#N)C
InChI
InChI=1S/C11H13N3O2/c1-3-4-11(2)7(5-12)9(15)14-10(16)8(11)6-13/h7-8H,3-4H2,1-2H3,(H,14,15,16)
InChIKey
QZTFQQBYBVMLFQ-UHFFFAOYSA-N
Compound name
4-methyl-2,6-dioxo-4-propylpiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

219.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 152.8
[M+Na]+ 242.08999 162.8
[M-H]- 218.09349 155.1
[M+NH4]+ 237.13459 165.4
[M+K]+ 258.06393 158.9
[M+H-H2O]+ 202.09803 138.8
[M+HCOO]- 264.09897 161.9
[M+CH3COO]- 278.11462 218.2
[M+Na-2H]- 240.07544 153.7
[M]+ 219.10022 143.7
[M]- 219.10132 143.7
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