CID 753340

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

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=C(C2=CC=CC=C2N1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O2/c1-8-9(6-7-13(14)15)10-4-2-3-5-11(10)12-8/h2-7,12H,1H3/b7-6+
InChIKey
DTSVTKXSWKXFDC-VOTSOKGWSA-N
Compound name
2-methyl-3-[(E)-2-nitroethenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

202.07423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.6
[M+Na]+ 225.063448 150.8
[M-H]- 201.066954 144.3
[M+NH4]+ 220.108053 161.1
[M+K]+ 241.037388 142.3
[M+H-H2O]+ 185.071490 140.1
[M+HCOO]- 247.072431 166.1
[M+CH3COO]- 261.088081 176.3
[M+Na-2H]- 223.048896 149.8
[M]+ 202.07368142 140.6
[M]- 202.07477858 140.6
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