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

3
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 145.3
[M+Na]+ 188.11582 152.9
[M-H]- 164.11932 148.0
[M+NH4]+ 183.16042 159.2
[M+K]+ 204.08976 152.5
[M+H-H2O]+ 148.12386 130.5
[M+HCOO]- 210.12480 158.8
[M+CH3COO]- 224.14045 218.0
[M+Na-2H]- 186.10127 148.1
[M]+ 165.12605 139.3
[M]- 165.12715 139.3
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