CID 28303577

2-[2-(2-aminoethyl)-1h-1,3-benzodiazol-1-yl]acetic acid dihydrochloride

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1=CC=C2C(=C1)N=C(N2CC(=O)O)CCN
InChI
InChI=1S/C11H13N3O2/c12-6-5-10-13-8-3-1-2-4-9(8)14(10)7-11(15)16/h1-4H,5-7,12H2,(H,15,16)
InChIKey
MUXPIJYOWNJPCO-UHFFFAOYSA-N
Compound name
2-[2-(2-aminoethyl)benzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.2
[M+Na]+ 242.08999 158.5
[M+NH4]+ 237.13459 153.8
[M+K]+ 258.06393 155.2
[M-H]- 218.09349 147.4
[M+Na-2H]- 240.07544 151.7
[M]+ 219.10022 148.5
[M]- 219.10132 148.5
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.