CID 5291187

64252-02-4

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C/C(=C\C1=CNC2=CC=CC=C21)/[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O2/c1-8(13(14)15)6-9-7-12-11-5-3-2-4-10(9)11/h2-7,12H,1H3/b8-6+
InChIKey
BPAQTDYDNBMYAM-SOFGYWHQSA-N
Compound name
3-[(E)-2-nitroprop-1-enyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

202.07423 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 141.8
[M+Na]+ 225.06345 149.7
[M-H]- 201.06695 144.2
[M+NH4]+ 220.10805 160.9
[M+K]+ 241.03739 141.8
[M+H-H2O]+ 185.07149 140.1
[M+HCOO]- 247.07243 165.3
[M+CH3COO]- 261.08808 175.9
[M+Na-2H]- 223.04890 149.5
[M]+ 202.07368 139.7
[M]- 202.07478 139.7
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

patents stripe