CID 14577890

2-amino-3-(1h-pyrrol-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1=CNC=C1CC(C(=O)O)N
InChI
InChI=1S/C7H10N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h1-2,4,6,9H,3,8H2,(H,10,11)
InChIKey
SDMNFUKYUGGKNV-UHFFFAOYSA-N
Compound name
2-amino-3-(1H-pyrrol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

154.07423 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 132.8
[M+Na]+ 177.063448 138.8
[M-H]- 153.066954 131.9
[M+NH4]+ 172.108053 151.9
[M+K]+ 193.037388 136.7
[M+H-H2O]+ 137.071490 126.6
[M+HCOO]- 199.072431 153.4
[M+CH3COO]- 213.088081 172.0
[M+Na-2H]- 175.048896 135.5
[M]+ 154.07368142 128.4
[M]- 154.07477858 128.4
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

patents stripe