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

literature stripe

Patent stripe

patents stripe