CID 16788534

1-(cyclopropylmethyl)-2,5-dimethyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=CC(=C(N1CC2CC2)C)C(=O)O
InChI
InChI=1S/C11H15NO2/c1-7-5-10(11(13)14)8(2)12(7)6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,13,14)
InChIKey
IRPSDSAYDMWHCN-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.9
[M+Na]+ 216.09950 152.6
[M-H]- 192.10300 147.5
[M+NH4]+ 211.14410 157.0
[M+K]+ 232.07344 148.5
[M+H-H2O]+ 176.10754 135.9
[M+HCOO]- 238.10848 163.7
[M+CH3COO]- 252.12413 186.6
[M+Na-2H]- 214.08495 143.6
[M]+ 193.10973 145.8
[M]- 193.11083 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.