CID 6438051

(z)-3-(9-octadecenylamino)propiononitrile

Structural Information

Molecular Formula
C21H40N2
SMILES
CCCCCCCC/C=C\CCCCCCCCNCCC#N
InChI
InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-18,20-21H2,1H3/b10-9-
InChIKey
WFWQUQYVEYXMPO-KTKRTIGZSA-N
Compound name
3-[[(Z)-octadec-9-enyl]amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

320.31915 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.326426 179.4
[M+Na]+ 343.308368 182.4
[M-H]- 319.311874 177.8
[M+NH4]+ 338.352973 192.4
[M+K]+ 359.282308 177.8
[M+H-H2O]+ 303.316410 165.7
[M+HCOO]- 365.317351 196.5
[M+CH3COO]- 379.333001 225.5
[M+Na-2H]- 341.293816 179.7
[M]+ 320.31860142 179.5
[M]- 320.31969858 179.5
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