CID 1560156

3-(2-nitrovinyl)indole

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-7,11H/b6-5+
InChIKey
IPASVEYYTNTJTM-AATRIKPKSA-N
Compound name
3-[(E)-2-nitroethenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

50
Patents

188.05858 Da
Monoisotopic Mass

2.5
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