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]+ 153.13863 134.4
[M+Na]+ 175.12057 141.6
[M-H]- 151.12407 134.7
[M+NH4]+ 170.16517 153.2
[M+K]+ 191.09451 138.5
[M+H-H2O]+ 135.12861 122.6
[M+HCOO]- 197.12955 148.2
[M+CH3COO]- 211.14520 187.0
[M+Na-2H]- 173.10602 139.1
[M]+ 152.13080 124.1
[M]- 152.13190 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