CID 43556586

2-(4-aminopiperidin-1-yl)acetonitrile

Structural Information

Molecular Formula
C7H13N3
SMILES
C1CN(CCC1N)CC#N
InChI
InChI=1S/C7H13N3/c8-3-6-10-4-1-7(9)2-5-10/h7H,1-2,4-6,9H2
InChIKey
ZGYLBJLUOKJLRB-UHFFFAOYSA-N
Compound name
2-(4-aminopiperidin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

139.11095 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.118226 128.3
[M+Na]+ 162.100168 135.5
[M-H]- 138.103674 129.2
[M+NH4]+ 157.144773 145.9
[M+K]+ 178.074108 133.5
[M+H-H2O]+ 122.108210 115.4
[M+HCOO]- 184.109151 144.9
[M+CH3COO]- 198.124801 188.4
[M+Na-2H]- 160.085616 133.1
[M]+ 139.11040142 117.9
[M]- 139.11149858 117.9
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