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]+ 166.133876 145.3
[M+Na]+ 188.115818 152.9
[M-H]- 164.119324 148.0
[M+NH4]+ 183.160423 159.2
[M+K]+ 204.089758 152.5
[M+H-H2O]+ 148.123860 130.5
[M+HCOO]- 210.124801 158.8
[M+CH3COO]- 224.140451 218.0
[M+Na-2H]- 186.101266 148.1
[M]+ 165.12605142 139.3
[M]- 165.12714858 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