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

88
Patents

138.11569 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 130.6
[M+Na]+ 161.10491 137.9
[M-H]- 137.10841 133.2
[M+NH4]+ 156.14951 151.2
[M+K]+ 177.07885 135.4
[M+H-H2O]+ 121.11295 118.2
[M+HCOO]- 183.11389 150.6
[M+CH3COO]- 197.12954 188.2
[M+Na-2H]- 159.09036 135.3
[M]+ 138.11514 122.6
[M]- 138.11624 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