CID 155977913

Methyl 2-(methoxymethyl)-2,5-dihydro-1h-pyrrole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
COCC1(C=CCN1)C(=O)OC
InChI
InChI=1S/C8H13NO3/c1-11-6-8(7(10)12-2)4-3-5-9-8/h3-4,9H,5-6H2,1-2H3
InChIKey
JBXONCAGFCNMCO-UHFFFAOYSA-N
Compound name
methyl 5-(methoxymethyl)-1,2-dihydropyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.3
[M+Na]+ 194.07876 143.5
[M-H]- 170.08226 137.2
[M+NH4]+ 189.12336 158.3
[M+K]+ 210.05270 142.9
[M+H-H2O]+ 154.08680 131.1
[M+HCOO]- 216.08774 157.6
[M+CH3COO]- 230.10339 173.6
[M+Na-2H]- 192.06421 141.3
[M]+ 171.08899 137.0
[M]- 171.09009 137.0
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.