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

11
Patents

193.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 143.3
[M+Na]+ 216.099498 148.4
[M-H]- 192.103004 146.7
[M+NH4]+ 211.144103 162.0
[M+K]+ 232.073438 146.0
[M+H-H2O]+ 176.107540 136.3
[M+HCOO]- 238.108481 161.9
[M+CH3COO]- 252.124131 179.2
[M+Na-2H]- 214.084946 145.0
[M]+ 193.10973142 138.3
[M]- 193.11082858 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