CID 84049953

3-(2-methyl-4,5-dihydro-1h-imidazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC1=NCCN1CCC(=O)O
InChI
InChI=1S/C7H12N2O2/c1-6-8-3-5-9(6)4-2-7(10)11/h2-5H2,1H3,(H,10,11)
InChIKey
QVFWTWJELADOHJ-UHFFFAOYSA-N
Compound name
3-(2-methyl-4,5-dihydroimidazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 133.3
[M+Na]+ 179.079088 140.8
[M-H]- 155.082594 132.8
[M+NH4]+ 174.123693 152.7
[M+K]+ 195.053028 139.8
[M+H-H2O]+ 139.087130 126.6
[M+HCOO]- 201.088071 153.3
[M+CH3COO]- 215.103721 173.6
[M+Na-2H]- 177.064536 136.6
[M]+ 156.08932142 132.7
[M]- 156.09041858 132.7
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

No patent data available for this compound.