CID 16727466

N2-{2-[(aminomethyl)(ethyl)amino]ethyl}butane-1,2-diamine

Structural Information

Molecular Formula
C10H26N4
SMILES
CCC(CN)NCCNC(CC)CN
InChI
InChI=1S/C10H26N4/c1-3-9(7-11)13-5-6-14-10(4-2)8-12/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKey
UMJJHUCVPXAKPJ-UHFFFAOYSA-N
Compound name
2-N-[2-(1-aminobutan-2-ylamino)ethyl]butane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

202.21574 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.22302 152.8
[M+Na]+ 225.20496 154.4
[M-H]- 201.20846 151.2
[M+NH4]+ 220.24956 169.9
[M+K]+ 241.17890 153.5
[M+H-H2O]+ 185.21300 145.6
[M+HCOO]- 247.21394 175.9
[M+CH3COO]- 261.22959 199.8
[M+Na-2H]- 223.19041 153.8
[M]+ 202.21519 148.9
[M]- 202.21629 148.9
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

No patent data available for this compound.