CID 469951

2-[2-(1-cyanopropylamino)ethylamino]butanenitrile

Structural Information

Molecular Formula
C10H18N4
SMILES
CCC(C#N)NCCNC(CC)C#N
InChI
InChI=1S/C10H18N4/c1-3-9(7-11)13-5-6-14-10(4-2)8-12/h9-10,13-14H,3-6H2,1-2H3
InChIKey
WYVZEZZRIZFZQZ-UHFFFAOYSA-N
Compound name
2-[2-(1-cyanopropylamino)ethylamino]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.15315 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16043 155.5
[M+Na]+ 217.14237 161.4
[M-H]- 193.14587 157.0
[M+NH4]+ 212.18697 167.7
[M+K]+ 233.11631 161.1
[M+H-H2O]+ 177.15041 140.3
[M+HCOO]- 239.15135 167.5
[M+CH3COO]- 253.16700 221.9
[M+Na-2H]- 215.12782 156.3
[M]+ 194.15260 147.2
[M]- 194.15370 147.2
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

No patent data available for this compound.