CID 155858778

2580249-84-7

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1CC=CC1(COC)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-7-5-6-12(13,8-17-4)9(14)15/h5-6H,7-8H2,1-4H3,(H,14,15)
InChIKey
MBWJXBFSWLEKBO-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 157.1
[M+Na]+ 280.11552 163.9
[M-H]- 256.11902 158.2
[M+NH4]+ 275.16012 176.0
[M+K]+ 296.08946 164.0
[M+H-H2O]+ 240.12356 152.7
[M+HCOO]- 302.12450 175.2
[M+CH3COO]- 316.14015 190.0
[M+Na-2H]- 278.10097 159.9
[M]+ 257.12575 160.7
[M]- 257.12685 160.7
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.