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

35
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 142.3
[M+Na]+ 174.10017 150.1
[M-H]- 150.10367 144.2
[M+NH4]+ 169.14477 156.1
[M+K]+ 190.07411 149.1
[M+H-H2O]+ 134.10821 127.8
[M+HCOO]- 196.10915 155.6
[M+CH3COO]- 210.12480 213.8
[M+Na-2H]- 172.08562 145.9
[M]+ 151.11040 135.2
[M]- 151.11150 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