CID 145522387

1-(2-aminoethyl)-1h-pyrrole-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1=CN(C=C1C(=O)O)CCN
InChI
InChI=1S/C7H10N2O2/c8-2-4-9-3-1-6(5-9)7(10)11/h1,3,5H,2,4,8H2,(H,10,11)
InChIKey
ITJPUAMUQZSHDP-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07423 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 131.3
[M+Na]+ 177.06345 139.0
[M-H]- 153.06695 132.1
[M+NH4]+ 172.10805 151.6
[M+K]+ 193.03739 137.3
[M+H-H2O]+ 137.07149 125.1
[M+HCOO]- 199.07243 154.5
[M+CH3COO]- 213.08808 174.7
[M+Na-2H]- 175.04890 135.1
[M]+ 154.07368 129.9
[M]- 154.07478 129.9
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.