CID 2758002

3-(cyclopentylamino)propionitrile

Structural Information

Molecular Formula
C8H14N2
SMILES
C1CCC(C1)NCCC#N
InChI
InChI=1S/C8H14N2/c9-6-3-7-10-8-4-1-2-5-8/h8,10H,1-5,7H2
InChIKey
YHGZCPAPXDXHCY-UHFFFAOYSA-N
Compound name
3-(cyclopentylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

138.11569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 130.6
[M+Na]+ 161.104908 137.9
[M-H]- 137.108414 133.2
[M+NH4]+ 156.149513 151.2
[M+K]+ 177.078848 135.4
[M+H-H2O]+ 121.112950 118.2
[M+HCOO]- 183.113891 150.6
[M+CH3COO]- 197.129541 188.2
[M+Na-2H]- 159.090356 135.3
[M]+ 138.11514142 122.6
[M]- 138.11623858 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