CID 260022

Pyrrole, 1-(2-(2-(dimethylamino)ethoxy)ethyl)-2,5-dimethyl-

Structural Information

Molecular Formula
C12H22N2O
SMILES
CC1=CC=C(N1CCOCCN(C)C)C
InChI
InChI=1S/C12H22N2O/c1-11-5-6-12(2)14(11)8-10-15-9-7-13(3)4/h5-6H,7-10H2,1-4H3
InChIKey
XKWKAFIDUXGSFK-UHFFFAOYSA-N
Compound name
2-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 150.8
[M+Na]+ 233.16244 157.9
[M-H]- 209.16594 154.4
[M+NH4]+ 228.20704 171.0
[M+K]+ 249.13638 157.2
[M+H-H2O]+ 193.17048 143.6
[M+HCOO]- 255.17142 175.5
[M+CH3COO]- 269.18707 195.7
[M+Na-2H]- 231.14789 153.2
[M]+ 210.17267 155.7
[M]- 210.17377 155.7
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.