CID 124252768

Methyl 5-(aminomethyl)-1,2-dimethyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC1=C(C=C(N1C)CN)C(=O)OC
InChI
InChI=1S/C9H14N2O2/c1-6-8(9(12)13-3)4-7(5-10)11(6)2/h4H,5,10H2,1-3H3
InChIKey
XWWRDWCLWKGQIR-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)-1,2-dimethylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 140.2
[M+Na]+ 205.09475 150.2
[M+NH4]+ 200.13935 147.0
[M+K]+ 221.06869 147.6
[M-H]- 181.09825 140.5
[M+Na-2H]- 203.08020 143.7
[M]+ 182.10498 141.3
[M]- 182.10608 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.