CID 3078796

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

Structural Information

Molecular Formula
C8H13N3O2S
SMILES
CN(C)CCNC1=C(SC=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O2S/c1-10(2)5-4-9-7-3-6-14-8(7)11(12)13/h3,6,9H,4-5H2,1-2H3
InChIKey
AFRONXIZVBQQHP-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(2-nitrothiophen-3-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07285 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08013 144.0
[M+Na]+ 238.06207 152.9
[M+NH4]+ 233.10667 152.2
[M+K]+ 254.03601 150.4
[M-H]- 214.06557 147.8
[M+Na-2H]- 236.04752 148.6
[M]+ 215.07230 146.4
[M]- 215.07340 146.4
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.