CID 140814

2,2'-dipyrrolylmethane

Structural Information

Molecular Formula
C9H10N2
SMILES
C1=CNC(=C1)CC2=CC=CN2
InChI
InChI=1S/C9H10N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6,10-11H,7H2
InChIKey
PBTPREHATAFBEN-UHFFFAOYSA-N
Compound name
2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

80
References

2151
Patents

146.0844 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 128.4
[M+Na]+ 169.07362 137.2
[M-H]- 145.07712 130.4
[M+NH4]+ 164.11822 149.1
[M+K]+ 185.04756 133.2
[M+H-H2O]+ 129.08166 121.3
[M+HCOO]- 191.08260 151.8
[M+CH3COO]- 205.09825 142.0
[M+Na-2H]- 167.05907 134.0
[M]+ 146.08385 126.1
[M]- 146.08495 126.1
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