CID 83420990

2-[1-(pyrrolidin-3-yl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine

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]+ 231.160426 151.6
[M+Na]+ 253.142368 159.4
[M-H]- 229.145874 153.8
[M+NH4]+ 248.186973 169.0
[M+K]+ 269.116308 154.2
[M+H-H2O]+ 213.150410 142.9
[M+HCOO]- 275.151351 171.4
[M+CH3COO]- 289.167001 162.9
[M+Na-2H]- 251.127816 154.3
[M]+ 230.15260142 148.3
[M]- 230.15369858 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.