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

2
Patents

152.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.13863 130.3
[M+Na]+ 175.12057 138.6
[M-H]- 151.12407 132.0
[M+NH4]+ 170.16517 148.5
[M+K]+ 191.09451 136.4
[M+H-H2O]+ 135.12861 117.9
[M+HCOO]- 197.12955 146.2
[M+CH3COO]- 211.14520 191.1
[M+Na-2H]- 173.10602 134.6
[M]+ 152.13080 122.6
[M]- 152.13190 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