CID 55270537

2-methyl-2-(piperidin-4-yl)propanenitrile

Structural Information

Molecular Formula
C9H16N2
SMILES
CC(C)(C#N)C1CCNCC1
InChI
InChI=1S/C9H16N2/c1-9(2,7-10)8-3-5-11-6-4-8/h8,11H,3-6H2,1-2H3
InChIKey
CZCCYJJBCQXQTM-UHFFFAOYSA-N
Compound name
2-methyl-2-piperidin-4-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

152.13135 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 136.3
[M+Na]+ 175.120568 142.9
[M-H]- 151.124074 136.3
[M+NH4]+ 170.165173 153.3
[M+K]+ 191.094508 140.2
[M+H-H2O]+ 135.128610 124.1
[M+HCOO]- 197.129551 149.3
[M+CH3COO]- 211.145201 187.0
[M+Na-2H]- 173.106016 141.4
[M]+ 152.13080142 125.7
[M]- 152.13189858 125.7
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