CID 98747

4-(dipropylamino)butanenitrile

Structural Information

Molecular Formula
C10H20N2
SMILES
CCCN(CCC)CCCC#N
InChI
InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3
InChIKey
FLJPZKPNJVGMHO-UHFFFAOYSA-N
Compound name
4-(dipropylamino)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

168.16264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.169916 138.1
[M+Na]+ 191.151858 144.9
[M-H]- 167.155364 139.5
[M+NH4]+ 186.196463 157.1
[M+K]+ 207.125798 144.7
[M+H-H2O]+ 151.159900 125.9
[M+HCOO]- 213.160841 158.6
[M+CH3COO]- 227.176491 200.5
[M+Na-2H]- 189.137306 142.7
[M]+ 168.16209142 136.2
[M]- 168.16318858 136.2
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