CID 78499

3-(dodecylamino)propionitrile

Structural Information

Molecular Formula
C15H30N2
SMILES
CCCCCCCCCCCCNCCC#N
InChI
InChI=1S/C15H30N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-12,14-15H2,1H3
InChIKey
DKRQDOPNZFOLQD-UHFFFAOYSA-N
Compound name
3-(dodecylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

238.2409 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.24818 161.6
[M+Na]+ 261.23012 169.7
[M+NH4]+ 256.27472 165.3
[M+K]+ 277.20406 158.7
[M-H]- 237.23362 154.9
[M+Na-2H]- 259.21557 161.8
[M]+ 238.24035 159.8
[M]- 238.24145 159.8
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