CID 66134190

2758004-34-9

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCN1C=NC=C1CC(CN)C(=O)O
InChI
InChI=1S/C9H15N3O2/c1-2-12-6-11-5-8(12)3-7(4-10)9(13)14/h5-7H,2-4,10H2,1H3,(H,13,14)
InChIKey
UYKZTIJVJYQGCB-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-(3-ethylimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 145.0
[M+Na]+ 220.10564 151.5
[M-H]- 196.10914 144.2
[M+NH4]+ 215.15024 162.1
[M+K]+ 236.07958 149.8
[M+H-H2O]+ 180.11368 137.6
[M+HCOO]- 242.11462 165.2
[M+CH3COO]- 256.13027 184.5
[M+Na-2H]- 218.09109 146.5
[M]+ 197.11587 144.2
[M]- 197.11697 144.2
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.