CID 55995

Butyronitrile, 4,4'-(methylimino)di-

Structural Information

Molecular Formula
C9H15N3
SMILES
CN(CCCC#N)CCCC#N
InChI
InChI=1S/C9H15N3/c1-12(8-4-2-6-10)9-5-3-7-11/h2-5,8-9H2,1H3
InChIKey
MFTBTGABLVJMGK-UHFFFAOYSA-N
Compound name
4-[3-cyanopropyl(methyl)amino]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.1266 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 165.0
[M+Na]+ 188.11582 171.8
[M+NH4]+ 183.16042 165.5
[M+K]+ 204.08976 161.5
[M-H]- 164.11932 154.5
[M+Na-2H]- 186.10127 163.0
[M]+ 165.12605 161.6
[M]- 165.12715 161.6
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