CID 33155

3-(dibutylamino)propanenitrile

Structural Information

Molecular Formula
C11H22N2
SMILES
CCCCN(CCCC)CCC#N
InChI
InChI=1S/C11H22N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-7,9-11H2,1-2H3
InChIKey
XNHGXTPCDNEDCH-UHFFFAOYSA-N
Compound name
3-(dibutylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

56
Patents

182.1783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.18558 142.0
[M+Na]+ 205.16752 148.5
[M-H]- 181.17102 143.3
[M+NH4]+ 200.21212 160.5
[M+K]+ 221.14146 148.1
[M+H-H2O]+ 165.17556 129.7
[M+HCOO]- 227.17650 162.3
[M+CH3COO]- 241.19215 203.2
[M+Na-2H]- 203.15297 146.2
[M]+ 182.17775 140.5
[M]- 182.17885 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe