CID 71777653

13687-72-4

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

C1CC2=C(C1)NC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O2/c14-13(15)7-4-5-11-9(6-7)8-2-1-3-10(8)12-11/h4-6,12H,1-3H2

InChIKey

AMDGDBBFKCHJHW-UHFFFAOYSA-N

Compound name

7-nitro-1,2,3,4-tetrahydrocyclopenta[b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.07423 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.08151	140.6
[M+Na]+	225.06345	149.3
[M-H]-	201.06695	144.3
[M+NH4]+	220.10805	162.6
[M+K]+	241.03739	141.3
[M+H-H2O]+	185.07149	139.6
[M+HCOO]-	247.07243	164.0
[M+CH3COO]-	261.08808	176.4
[M+Na-2H]-	223.04890	148.3
[M]+	202.07368	138.6
[M]-	202.07478	138.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.