CID 90180

23571-43-9

Structural Information

Molecular Formula
C7H10ClN3O2
SMILES
CCC1=CN=C(N1CCCl)[N+](=O)[O-]
InChI
InChI=1S/C7H10ClN3O2/c1-2-6-5-9-7(11(12)13)10(6)4-3-8/h5H,2-4H2,1H3
InChIKey
SPPPYRUQHOFCCJ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-5-ethyl-2-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04616 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05344 142.1
[M+Na]+ 226.03538 151.2
[M-H]- 202.03888 143.2
[M+NH4]+ 221.07998 160.6
[M+K]+ 242.00932 144.4
[M+H-H2O]+ 186.04342 140.3
[M+HCOO]- 248.04436 161.8
[M+CH3COO]- 262.06001 178.3
[M+Na-2H]- 224.02083 148.2
[M]+ 203.04561 143.9
[M]- 203.04671 143.9
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.