CID 56072

Butyronitrile, 4,4'-iminodi-

Structural Information

Molecular Formula
C8H13N3
SMILES
C(CC#N)CNCCCC#N
InChI
InChI=1S/C8H13N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-4,7-8H2
InChIKey
CKEIQUPFORBNCK-UHFFFAOYSA-N
Compound name
4-(3-cyanopropylamino)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

151.11095 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 142.3
[M+Na]+ 174.100168 150.1
[M-H]- 150.103674 144.2
[M+NH4]+ 169.144773 156.1
[M+K]+ 190.074108 149.1
[M+H-H2O]+ 134.108210 127.8
[M+HCOO]- 196.109151 155.6
[M+CH3COO]- 210.124801 213.8
[M+Na-2H]- 172.085616 145.9
[M]+ 151.11040142 135.2
[M]- 151.11149858 135.2
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