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]+ 186.17133 143.2
[M+Na]+ 208.15327 147.1
[M-H]- 184.15677 148.4
[M+NH4]+ 203.19787 163.7
[M+K]+ 224.12721 145.0
[M+H-H2O]+ 168.16131 140.1
[M+HCOO]- 230.16225 175.9
[M+CH3COO]- 244.17790 200.2
[M+Na-2H]- 206.13872 151.3
[M]+ 185.16350 144.0
[M]- 185.16460 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.