CID 93620361

2470436-55-4

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CC2=NC=C(N2C1)CCC(=O)O
InChI
InChI=1S/C9H12N2O2/c12-9(13)4-3-7-6-10-8-2-1-5-11(7)8/h6H,1-5H2,(H,12,13)
InChIKey
YGZGUBHMYRMBQO-UHFFFAOYSA-N
Compound name
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 139.5
[M+Na]+ 203.079088 147.4
[M-H]- 179.082594 140.1
[M+NH4]+ 198.123693 160.6
[M+K]+ 219.053028 145.5
[M+H-H2O]+ 163.087130 133.1
[M+HCOO]- 225.088071 159.5
[M+CH3COO]- 239.103721 177.4
[M+Na-2H]- 201.064536 142.2
[M]+ 180.08932142 139.4
[M]- 180.09041858 139.4
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.