CID 100630001

2-cyclobutyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CC(C1)C2=C(C=CN2)C(=O)O
InChI
InChI=1S/C9H11NO2/c11-9(12)7-4-5-10-8(7)6-2-1-3-6/h4-6,10H,1-3H2,(H,11,12)
InChIKey
WHAZSBOOZSGSRP-UHFFFAOYSA-N
Compound name
2-cyclobutyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.1
[M+Na]+ 188.06820 138.4
[M-H]- 164.07170 135.8
[M+NH4]+ 183.11280 146.0
[M+K]+ 204.04214 138.8
[M+H-H2O]+ 148.07624 122.1
[M+HCOO]- 210.07718 151.9
[M+CH3COO]- 224.09283 175.8
[M+Na-2H]- 186.05365 135.6
[M]+ 165.07843 138.2
[M]- 165.07953 138.2
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.