CID 24271768

Methyl 3-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=C(NC=C1)C(=O)OC
InChI
InChI=1S/C7H9NO2/c1-5-3-4-8-6(5)7(9)10-2/h3-4,8H,1-2H3
InChIKey
YYBQAWKPLZMZEU-UHFFFAOYSA-N
Compound name
methyl 3-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

139.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 127.1
[M+Na]+ 162.052538 135.9
[M-H]- 138.056044 128.6
[M+NH4]+ 157.097143 148.8
[M+K]+ 178.026478 134.7
[M+H-H2O]+ 122.060580 121.6
[M+HCOO]- 184.061521 150.0
[M+CH3COO]- 198.077171 169.8
[M+Na-2H]- 160.037986 131.7
[M]+ 139.06277142 127.5
[M]- 139.06386858 127.5
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

patents stripe