CID 90872

23025-73-2

Structural Information

Molecular Formula
C13H17N2
SMILES
C1C=CCN1C=CC=CC=[N+]2CC=CC2
InChI
InChI=1S/C13H17N2/c1(2-8-14-10-4-5-11-14)3-9-15-12-6-7-13-15/h1-9H,10-13H2/q+1
InChIKey
GPCSKPRMTXITPA-UHFFFAOYSA-N
Compound name
1-[5-(2,5-dihydropyrrol-1-ium-1-ylidene)penta-1,3-dienyl]-2,5-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13918 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14646 151.7
[M+Na]+ 224.12840 157.4
[M-H]- 200.13190 155.0
[M+NH4]+ 219.17300 170.9
[M+K]+ 240.10234 147.9
[M+H-H2O]+ 184.13644 145.9
[M+HCOO]- 246.13738 172.6
[M+CH3COO]- 260.15303 174.3
[M+Na-2H]- 222.11385 155.1
[M]+ 201.13863 146.4
[M]- 201.13973 146.4
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.