CID 142178

Methyl 1-methylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H9NO2
SMILES
CN1C=CC=C1C(=O)OC
InChI
InChI=1S/C7H9NO2/c1-8-5-3-4-6(8)7(9)10-2/h3-5H,1-2H3
InChIKey
APHVGKYWHWFAQV-UHFFFAOYSA-N
Compound name
methyl 1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

337
Patents

139.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.2
[M+Na]+ 162.052538 135.4
[M-H]- 138.056044 129.0
[M+NH4]+ 157.097143 148.6
[M+K]+ 178.026478 135.1
[M+H-H2O]+ 122.060580 120.5
[M+HCOO]- 184.061521 150.5
[M+CH3COO]- 198.077171 172.4
[M+Na-2H]- 160.037986 131.3
[M]+ 139.06277142 128.4
[M]- 139.06386858 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

literature stripe

Patent stripe

patents stripe