CID 82490406

Potassium 2-(2,5-dimethyl-1h-pyrrol-3-yl)acetate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC1=CC(=C(N1)C)CC(=O)O
InChI
InChI=1S/C8H11NO2/c1-5-3-7(4-8(10)11)6(2)9-5/h3,9H,4H2,1-2H3,(H,10,11)
InChIKey
OBPBAPNPDOAKCR-UHFFFAOYSA-N
Compound name
2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 131.8
[M+Na]+ 176.06820 140.5
[M-H]- 152.07170 132.0
[M+NH4]+ 171.11280 152.4
[M+K]+ 192.04214 138.1
[M+H-H2O]+ 136.07624 126.6
[M+HCOO]- 198.07718 152.7
[M+CH3COO]- 212.09283 172.1
[M+Na-2H]- 174.05365 134.6
[M]+ 153.07843 131.0
[M]- 153.07953 131.0
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

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