CID 64147168

Methyl 2-amino-3-(1-methyl-1h-imidazol-2-yl)propanoate dihydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CN1C=CN=C1CC(C(=O)OC)N
InChI
InChI=1S/C8H13N3O2/c1-11-4-3-10-7(11)5-6(9)8(12)13-2/h3-4,6H,5,9H2,1-2H3
InChIKey
QTIZRTIXDIPFKQ-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.10077 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 140.1
[M+Na]+ 206.089988 147.6
[M-H]- 182.093494 140.9
[M+NH4]+ 201.134593 158.6
[M+K]+ 222.063928 147.0
[M+H-H2O]+ 166.098030 132.7
[M+HCOO]- 228.098971 162.2
[M+CH3COO]- 242.114621 183.3
[M+Na-2H]- 204.075436 142.6
[M]+ 183.10022142 140.7
[M]- 183.10131858 140.7
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