CID 13100900

4-[(e)-2-nitroethenyl]-1h-indole

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC(=C2C=CNC2=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5+
InChIKey
DQVWAEMRCAYLKH-FNORWQNLSA-N
Compound name
4-[(E)-2-nitroethenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

188.05858 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 136.9
[M+Na]+ 211.04780 145.6
[M-H]- 187.05130 139.4
[M+NH4]+ 206.09240 156.7
[M+K]+ 227.02174 137.4
[M+H-H2O]+ 171.05584 135.3
[M+HCOO]- 233.05678 161.8
[M+CH3COO]- 247.07243 172.2
[M+Na-2H]- 209.03325 146.3
[M]+ 188.05803 135.1
[M]- 188.05913 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe