CID 6475492

Pg-11047

Structural Information

Molecular Formula
C14H32N4
SMILES
CCNCCCNC/C=C\CNCCCNCC
InChI
InChI=1S/C14H32N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h5-6,15-18H,3-4,7-14H2,1-2H3/b6-5-
InChIKey
XFWLTFZLLXVKDY-WAYWQWQTSA-N
Compound name
(Z)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

195
Patents

256.2627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.26998 165.4
[M+Na]+ 279.25192 166.1
[M-H]- 255.25542 163.9
[M+NH4]+ 274.29652 181.0
[M+K]+ 295.22586 163.2
[M+H-H2O]+ 239.25996 157.4
[M+HCOO]- 301.26090 190.7
[M+CH3COO]- 315.27655 209.8
[M+Na-2H]- 277.23737 169.3
[M]+ 256.26215 165.6
[M]- 256.26325 165.6
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