CID 64818223

2-(1h-pyrrol-1-yl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
C1CCC(C(C1)C(=O)O)N2C=CC=C2
InChI
InChI=1S/C11H15NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h3-4,7-10H,1-2,5-6H2,(H,13,14)
InChIKey
ONSWIAWKVXLJQB-UHFFFAOYSA-N
Compound name
2-pyrrol-1-ylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

193.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.3
[M+Na]+ 216.09950 148.4
[M-H]- 192.10300 146.7
[M+NH4]+ 211.14410 162.0
[M+K]+ 232.07344 146.0
[M+H-H2O]+ 176.10754 136.3
[M+HCOO]- 238.10848 161.9
[M+CH3COO]- 252.12413 179.2
[M+Na-2H]- 214.08495 145.0
[M]+ 193.10973 138.3
[M]- 193.11083 138.3
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