CID 83420990

1542479-03-7

Structural Information

Molecular Formula
C13H18N4
SMILES
C1CNCC1N2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C13H18N4/c14-7-5-13-16-11-3-1-2-4-12(11)17(13)10-6-8-15-9-10/h1-4,10,15H,5-9,14H2
InChIKey
NCSYUJWJZCSRCH-UHFFFAOYSA-N
Compound name
2-(1-pyrrolidin-3-ylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15315 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.16043 151.6
[M+Na]+ 253.14237 159.4
[M-H]- 229.14587 153.8
[M+NH4]+ 248.18697 169.0
[M+K]+ 269.11631 154.2
[M+H-H2O]+ 213.15041 142.9
[M+HCOO]- 275.15135 171.4
[M+CH3COO]- 289.16700 162.9
[M+Na-2H]- 251.12782 154.3
[M]+ 230.15260 148.3
[M]- 230.15370 148.3
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.