CID 3057961

3,5-dimethyl-2-((3,5-dimethylpyrrolyl)methylene)pyrrolidine hydrobromide

Structural Information

Molecular Formula
C13H20N2
SMILES
CC\1CC(N/C1=C/N2C=C(C=C2C)C)C
InChI
InChI=1S/C13H20N2/c1-9-5-12(4)15(7-9)8-13-10(2)6-11(3)14-13/h5,7-8,10-11,14H,6H2,1-4H3/b13-8+
InChIKey
VJCQAOKDMJFRFR-MDWZMJQESA-N
Compound name
1-[(E)-(3,5-dimethylpyrrolidin-2-ylidene)methyl]-2,4-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 150.1
[M+Na]+ 227.15186 158.6
[M-H]- 203.15536 153.3
[M+NH4]+ 222.19646 170.1
[M+K]+ 243.12580 154.3
[M+H-H2O]+ 187.15990 143.4
[M+HCOO]- 249.16084 169.5
[M+CH3COO]- 263.17649 185.8
[M+Na-2H]- 225.13731 148.2
[M]+ 204.16209 147.5
[M]- 204.16319 147.5
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

No patent data available for this compound.