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

41
Patents

151.11095 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 162.8
[M+Na]+ 174.10017 169.5
[M+NH4]+ 169.14477 163.2
[M+K]+ 190.07411 159.1
[M-H]- 150.10367 152.1
[M+Na-2H]- 172.08562 160.8
[M]+ 151.11040 159.3
[M]- 151.11150 159.3
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