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

37
Patents

168.16264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.16992 138.1
[M+Na]+ 191.15186 144.9
[M-H]- 167.15536 139.5
[M+NH4]+ 186.19646 157.1
[M+K]+ 207.12580 144.7
[M+H-H2O]+ 151.15990 125.9
[M+HCOO]- 213.16084 158.6
[M+CH3COO]- 227.17649 200.5
[M+Na-2H]- 189.13731 142.7
[M]+ 168.16209 136.2
[M]- 168.16319 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