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]+ 211.180496 150.8
[M+Na]+ 233.162438 157.9
[M-H]- 209.165944 154.4
[M+NH4]+ 228.207043 171.0
[M+K]+ 249.136378 157.2
[M+H-H2O]+ 193.170480 143.6
[M+HCOO]- 255.171421 175.5
[M+CH3COO]- 269.187071 195.7
[M+Na-2H]- 231.147886 153.2
[M]+ 210.17267142 155.7
[M]- 210.17376858 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.