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]+ 140.07060 127.1
[M+Na]+ 162.05254 135.9
[M-H]- 138.05604 128.6
[M+NH4]+ 157.09714 148.8
[M+K]+ 178.02648 134.7
[M+H-H2O]+ 122.06058 121.6
[M+HCOO]- 184.06152 150.0
[M+CH3COO]- 198.07717 169.8
[M+Na-2H]- 160.03799 131.7
[M]+ 139.06277 127.5
[M]- 139.06387 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