CID 82595080

1776085-60-9

Structural Information

Molecular Formula
C9H16N2
SMILES
CC(C)C1(CCNCC1)C#N
InChI
InChI=1S/C9H16N2/c1-8(2)9(7-10)3-5-11-6-4-9/h8,11H,3-6H2,1-2H3
InChIKey
KJERDGDGTPYXIV-UHFFFAOYSA-N
Compound name
4-propan-2-ylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 134.4
[M+Na]+ 175.120568 141.6
[M-H]- 151.124074 134.7
[M+NH4]+ 170.165173 153.2
[M+K]+ 191.094508 138.5
[M+H-H2O]+ 135.128610 122.6
[M+HCOO]- 197.129551 148.2
[M+CH3COO]- 211.145201 187.0
[M+Na-2H]- 173.106016 139.1
[M]+ 152.13080142 124.1
[M]- 152.13189858 124.1
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