CID 247631

5059-36-9

Structural Information

Molecular Formula
C12H21N3
SMILES
CC1=CC=C(N1CCN2CCNCC2)C
InChI
InChI=1S/C12H21N3/c1-11-3-4-12(2)15(11)10-9-14-7-5-13-6-8-14/h3-4,13H,5-10H2,1-2H3
InChIKey
AUSXFRFXXDHSTC-UHFFFAOYSA-N
Compound name
1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

207.17355 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.180826 151.5
[M+Na]+ 230.162768 157.3
[M-H]- 206.166274 152.0
[M+NH4]+ 225.207373 167.5
[M+K]+ 246.136708 153.5
[M+H-H2O]+ 190.170810 142.6
[M+HCOO]- 252.171751 167.5
[M+CH3COO]- 266.187401 184.8
[M+Na-2H]- 228.148216 152.8
[M]+ 207.17300142 146.8
[M]- 207.17409858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe