CID 3055390

4-(1h-imidazol-1-yl)butanoic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1=CN(C=N1)CCCC(=O)O
InChI
InChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11)
InChIKey
ZCWMZLARYIDEEZ-UHFFFAOYSA-N
Compound name
4-imidazol-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

123
Patents

154.07423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 131.6
[M+Na]+ 177.063448 139.3
[M-H]- 153.066954 131.1
[M+NH4]+ 172.108053 150.9
[M+K]+ 193.037388 138.0
[M+H-H2O]+ 137.071490 124.7
[M+HCOO]- 199.072431 153.1
[M+CH3COO]- 213.088081 172.1
[M+Na-2H]- 175.048896 136.7
[M]+ 154.07368142 132.1
[M]- 154.07477858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe