CID 6162627

2-methyl-3-[(e)-2-nitroprop-1-enyl]-1h-indole

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=C(C2=CC=CC=C2N1)/C=C(\C)/[N+](=O)[O-]
InChI
InChI=1S/C12H12N2O2/c1-8(14(15)16)7-11-9(2)13-12-6-4-3-5-10(11)12/h3-7,13H,1-2H3/b8-7+
InChIKey
FDHGIPHZIMTTQC-BQYQJAHWSA-N
Compound name
2-methyl-3-[(E)-2-nitroprop-1-enyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.3
[M+Na]+ 239.07909 154.8
[M-H]- 215.08259 149.0
[M+NH4]+ 234.12369 165.2
[M+K]+ 255.05303 146.6
[M+H-H2O]+ 199.08713 144.8
[M+HCOO]- 261.08807 169.5
[M+CH3COO]- 275.10372 180.1
[M+Na-2H]- 237.06454 152.8
[M]+ 216.08932 145.0
[M]- 216.09042 145.0
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.