CID 87629710

Einecs 301-482-8

Structural Information

Molecular Formula
C24H51N3
SMILES
CCCCCCCC/C=C\CCCCCCCCN(CCCN)CCCN
InChI
InChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(23-18-20-25)24-19-21-26/h9-10H,2-8,11-26H2,1H3/b10-9-
InChIKey
KSWPRMYMOCDMFJ-KTKRTIGZSA-N
Compound name
N'-(3-aminopropyl)-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

381.4083 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.41558 208.3
[M+Na]+ 404.39752 205.9
[M-H]- 380.40102 205.4
[M+NH4]+ 399.44212 219.5
[M+K]+ 420.37146 201.2
[M+H-H2O]+ 364.40556 199.0
[M+HCOO]- 426.40650 228.6
[M+CH3COO]- 440.42215 236.6
[M+Na-2H]- 402.38297 203.9
[M]+ 381.40775 212.4
[M]- 381.40885 212.4
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