CID 53352

Butyronitrile, 4-((2-cyanoethyl)amino)-

Structural Information

Molecular Formula
C7H11N3
SMILES
C(CC#N)CNCCC#N
InChI
InChI=1S/C7H11N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-3,6-7H2
InChIKey
MQFCAEFMKAECPE-UHFFFAOYSA-N
Compound name
4-(2-cyanoethylamino)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.09529 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 139.7
[M+Na]+ 160.08451 147.7
[M-H]- 136.08801 141.7
[M+NH4]+ 155.12911 153.9
[M+K]+ 176.05845 146.9
[M+H-H2O]+ 120.09255 125.3
[M+HCOO]- 182.09349 153.2
[M+CH3COO]- 196.10914 211.9
[M+Na-2H]- 158.06996 143.6
[M]+ 137.09474 132.4
[M]- 137.09584 132.4
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

No patent data available for this compound.