CID 178200136

Methyl 3-(3,4-dimethyl-1h-pyrrol-2-yl)propanoate

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC1=CNC(=C1C)CCC(=O)OC
InChI
InChI=1S/C10H15NO2/c1-7-6-11-9(8(7)2)4-5-10(12)13-3/h6,11H,4-5H2,1-3H3
InChIKey
WBKPWLGYWBGXTN-UHFFFAOYSA-N
Compound name
methyl 3-(3,4-dimethyl-1H-pyrrol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.117556 140.4
[M+Na]+ 204.099498 148.8
[M-H]- 180.103004 141.7
[M+NH4]+ 199.144103 160.7
[M+K]+ 220.073438 146.8
[M+H-H2O]+ 164.107540 134.7
[M+HCOO]- 226.108481 162.2
[M+CH3COO]- 240.124131 180.0
[M+Na-2H]- 202.084946 142.7
[M]+ 181.10973142 142.2
[M]- 181.11082858 142.2
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.