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]+ 153.13863 136.3
[M+Na]+ 175.12057 142.9
[M-H]- 151.12407 136.3
[M+NH4]+ 170.16517 153.3
[M+K]+ 191.09451 140.2
[M+H-H2O]+ 135.12861 124.1
[M+HCOO]- 197.12955 149.3
[M+CH3COO]- 211.14520 187.0
[M+Na-2H]- 173.10602 141.4
[M]+ 152.13080 125.7
[M]- 152.13190 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