CID 117743

1-pyrrolidinepropanenitrile

Structural Information

Molecular Formula
C7H12N2
SMILES
C1CCN(C1)CCC#N
InChI
InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-3,5-7H2
InChIKey
PDVYZQGNSCSKPG-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1026
Patents

124.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 124.1
[M+Na]+ 147.08927 132.4
[M-H]- 123.09277 125.3
[M+NH4]+ 142.13387 144.2
[M+K]+ 163.06321 130.4
[M+H-H2O]+ 107.09731 111.1
[M+HCOO]- 169.09825 142.4
[M+CH3COO]- 183.11390 183.6
[M+Na-2H]- 145.07472 129.1
[M]+ 124.09950 116.9
[M]- 124.10060 116.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe