CID 3057961

Pyrrolidine, 3,5-dimethyl-2-((3,5-dimethylpyrrolyl)methylene)-, 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]+ 205.169916 150.1
[M+Na]+ 227.151858 158.6
[M-H]- 203.155364 153.3
[M+NH4]+ 222.196463 170.1
[M+K]+ 243.125798 154.3
[M+H-H2O]+ 187.159900 143.4
[M+HCOO]- 249.160841 169.5
[M+CH3COO]- 263.176491 185.8
[M+Na-2H]- 225.137306 148.2
[M]+ 204.16209142 147.5
[M]- 204.16318858 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.