CID 88674

3-(dipropylamino)propanenitrile

Structural Information

Molecular Formula
C9H18N2
SMILES
CCCN(CCC)CCC#N
InChI
InChI=1S/C9H18N2/c1-3-7-11(8-4-2)9-5-6-10/h3-5,7-9H2,1-2H3
InChIKey
TXKWRPYUNDNNMI-UHFFFAOYSA-N
Compound name
3-(dipropylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

154.147 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.154276 134.1
[M+Na]+ 177.136218 141.3
[M-H]- 153.139724 135.7
[M+NH4]+ 172.180823 153.6
[M+K]+ 193.110158 141.4
[M+H-H2O]+ 137.144260 122.1
[M+HCOO]- 199.145201 154.9
[M+CH3COO]- 213.160851 197.8
[M+Na-2H]- 175.121666 139.2
[M]+ 154.14645142 131.8
[M]- 154.14754858 131.8
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