CID 3078800

1,2-ethanediamine, n,n-diethyl-n'-(2-nitro-3-thienyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
CCN(CC)CCNC1=C(SC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H17N3O2S/c1-3-12(4-2)7-6-11-9-5-8-16-10(9)13(14)15/h5,8,11H,3-4,6-7H2,1-2H3
InChIKey
GUTWJSXGUSSPNS-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(2-nitrothiophen-3-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 152.7
[M+Na]+ 266.09336 161.2
[M+NH4]+ 261.13796 160.6
[M+K]+ 282.06730 158.2
[M-H]- 242.09686 156.4
[M+Na-2H]- 264.07881 156.8
[M]+ 243.10359 155.0
[M]- 243.10469 155.0
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.