CID 6435904

7173-62-8

Structural Information

Molecular Formula
C21H44N2
SMILES
CCCCCCCC/C=C\CCCCCCCCNCCCN
InChI
InChI=1S/C21H44N2/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,2-8,11-22H2,1H3/b10-9-
InChIKey
TUFJPPAQOXUHRI-KTKRTIGZSA-N
Compound name
N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3440
Patents

324.35046 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.35774 191.5
[M+Na]+ 347.33968 191.1
[M-H]- 323.34318 188.3
[M+NH4]+ 342.38428 205.0
[M+K]+ 363.31362 186.0
[M+H-H2O]+ 307.34772 183.4
[M+HCOO]- 369.34866 211.9
[M+CH3COO]- 383.36431 220.1
[M+Na-2H]- 345.32513 190.2
[M]+ 324.34991 195.1
[M]- 324.35101 195.1
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