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

4
Patents

197.11642 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 145.0
[M+Na]+ 220.105638 151.5
[M-H]- 196.109144 144.2
[M+NH4]+ 215.150243 162.1
[M+K]+ 236.079578 149.8
[M+H-H2O]+ 180.113680 137.6
[M+HCOO]- 242.114621 165.2
[M+CH3COO]- 256.130271 184.5
[M+Na-2H]- 218.091086 146.5
[M]+ 197.11587142 144.2
[M]- 197.11696858 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

patents stripe