CID 5869833

Einecs 270-265-7

Structural Information

Molecular Formula
C10H24N4
SMILES
C(CN)CNC/C=C/CNCCCN
InChI
InChI=1S/C10H24N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-2,13-14H,3-12H2/b2-1+
InChIKey
QIMQRAOUTRFLRN-OWOJBTEDSA-N
Compound name
(E)-N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

200.2001 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.207376 148.0
[M+Na]+ 223.189318 150.4
[M-H]- 199.192824 146.2
[M+NH4]+ 218.233923 165.3
[M+K]+ 239.163258 147.9
[M+H-H2O]+ 183.197360 140.8
[M+HCOO]- 245.198301 173.3
[M+CH3COO]- 259.213951 196.5
[M+Na-2H]- 221.174766 151.9
[M]+ 200.19955142 144.7
[M]- 200.20064858 144.7
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