CID 63701147

(2-azidoethyl)[3-(dimethylamino)propyl]methylamine dihydrochloride

Structural Information

Molecular Formula
C8H19N5
SMILES
CN(C)CCCN(C)CCN=[N+]=[N-]
InChI
InChI=1S/C8H19N5/c1-12(2)6-4-7-13(3)8-5-10-11-9/h4-8H2,1-3H3
InChIKey
PGCNYQZGCMYWAU-UHFFFAOYSA-N
Compound name
N'-(2-azidoethyl)-N,N,N'-trimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.16405 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.171326 143.2
[M+Na]+ 208.153268 147.1
[M-H]- 184.156774 148.4
[M+NH4]+ 203.197873 163.7
[M+K]+ 224.127208 145.0
[M+H-H2O]+ 168.161310 140.1
[M+HCOO]- 230.162251 175.9
[M+CH3COO]- 244.177901 200.2
[M+Na-2H]- 206.138716 151.3
[M]+ 185.16350142 144.0
[M]- 185.16459858 144.0
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

No patent data available for this compound.