CID 22688895

2-(3,5-dimethylpiperidin-1-yl)acetonitrile

Structural Information

Molecular Formula
C9H16N2
SMILES
CC1CC(CN(C1)CC#N)C
InChI
InChI=1S/C9H16N2/c1-8-5-9(2)7-11(6-8)4-3-10/h8-9H,4-7H2,1-2H3
InChIKey
KEHLLCJFZXAPCW-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpiperidin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 130.3
[M+Na]+ 175.120568 138.6
[M-H]- 151.124074 132.0
[M+NH4]+ 170.165173 148.5
[M+K]+ 191.094508 136.4
[M+H-H2O]+ 135.128610 117.9
[M+HCOO]- 197.129551 146.2
[M+CH3COO]- 211.145201 191.1
[M+Na-2H]- 173.106016 134.6
[M]+ 152.13080142 122.6
[M]- 152.13189858 122.6
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