CID 676888

(e)-1-methyl-3-(2-nitrovinyl)-1h-indole

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CN1C=C(C2=CC=CC=C21)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O2/c1-12-8-9(6-7-13(14)15)10-4-2-3-5-11(10)12/h2-8H,1H3/b7-6+
InChIKey
RZJUMQWTXIXIMY-VOTSOKGWSA-N
Compound name
1-methyl-3-[(E)-2-nitroethenyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.07423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 141.7
[M+Na]+ 225.06345 151.4
[M-H]- 201.06695 145.9
[M+NH4]+ 220.10805 162.0
[M+K]+ 241.03739 143.8
[M+H-H2O]+ 185.07149 140.0
[M+HCOO]- 247.07243 167.8
[M+CH3COO]- 261.08808 179.1
[M+Na-2H]- 223.04890 150.3
[M]+ 202.07368 142.6
[M]- 202.07478 142.6
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.