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 135.3
[M+Na]+ 188.06820 140.6
[M+NH4]+ 183.11280 138.7
[M+K]+ 204.04214 139.9
[M-H]- 164.07170 133.2
[M+Na-2H]- 186.05365 137.4
[M]+ 165.07843 133.9
[M]- 165.07953 133.9
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.