CID 52348

4-(dibutylamino)butanenitrile

Structural Information

Molecular Formula
C12H24N2
SMILES
CCCCN(CCCC)CCCC#N
InChI
InChI=1S/C12H24N2/c1-3-5-10-14(11-6-4-2)12-8-7-9-13/h3-8,10-12H2,1-2H3
InChIKey
VQPZLDJVFUXXGU-UHFFFAOYSA-N
Compound name
4-(dibutylamino)butanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

196.19395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.201226 146.0
[M+Na]+ 219.183168 152.1
[M-H]- 195.186674 147.1
[M+NH4]+ 214.227773 164.0
[M+K]+ 235.157108 151.4
[M+H-H2O]+ 179.191210 133.4
[M+HCOO]- 241.192151 165.9
[M+CH3COO]- 255.207801 205.9
[M+Na-2H]- 217.168616 149.7
[M]+ 196.19340142 144.7
[M]- 196.19449858 144.7
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