CID 5474673

1227242-56-9

Structural Information

Molecular Formula
C13H16N2
SMILES
CC\1=CC(=N/C1=C/C2=C(C=C(N2)C)C)C
InChI
InChI=1S/C13H16N2/c1-8-5-10(3)14-12(8)7-13-9(2)6-11(4)15-13/h5-7,14H,1-4H3/b13-7+
InChIKey
VEDYKOPETFAIJI-NTUHNPAUSA-N
Compound name
(2E)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

14
Patents

200.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 146.1
[M+Na]+ 223.120568 156.7
[M-H]- 199.124074 150.1
[M+NH4]+ 218.165173 166.5
[M+K]+ 239.094508 152.0
[M+H-H2O]+ 183.128610 139.5
[M+HCOO]- 245.129551 168.5
[M+CH3COO]- 259.145201 185.1
[M+Na-2H]- 221.106016 146.3
[M]+ 200.13080142 146.5
[M]- 200.13189858 146.5
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