CID 2760546

3-(1h-pyrrol-1-yl)aniline

Structural Information

Molecular Formula
C10H10N2
SMILES
C1=CN(C=C1)C2=CC=CC(=C2)N
InChI
InChI=1S/C10H10N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H,11H2
InChIKey
PJGDCPOPSNUYHC-UHFFFAOYSA-N
Compound name
3-pyrrol-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

181
Patents

158.0844 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 131.1
[M+Na]+ 181.07362 139.6
[M-H]- 157.07712 136.5
[M+NH4]+ 176.11822 151.9
[M+K]+ 197.04756 136.3
[M+H-H2O]+ 141.08166 123.9
[M+HCOO]- 203.08260 156.8
[M+CH3COO]- 217.09825 145.3
[M+Na-2H]- 179.05907 137.6
[M]+ 158.08385 128.8
[M]- 158.08495 128.8
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