CID 5474673

15536-55-7

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
2
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]+ 201.13863 146.1
[M+Na]+ 223.12057 156.7
[M-H]- 199.12407 150.1
[M+NH4]+ 218.16517 166.5
[M+K]+ 239.09451 152.0
[M+H-H2O]+ 183.12861 139.5
[M+HCOO]- 245.12955 168.5
[M+CH3COO]- 259.14520 185.1
[M+Na-2H]- 221.10602 146.3
[M]+ 200.13080 146.5
[M]- 200.13190 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