CID 132327911

2137581-76-9

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)C1=CC(=C(N1)C(C)C)C(=O)O
InChI
InChI=1S/C11H17NO2/c1-6(2)9-5-8(11(13)14)10(12-9)7(3)4/h5-7,12H,1-4H3,(H,13,14)
InChIKey
QHUDEYQWJJPECU-UHFFFAOYSA-N
Compound name
2,5-di(propan-2-yl)-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 145.7
[M+Na]+ 218.11515 152.7
[M-H]- 194.11865 145.7
[M+NH4]+ 213.15975 164.5
[M+K]+ 234.08909 150.5
[M+H-H2O]+ 178.12319 140.3
[M+HCOO]- 240.12413 163.7
[M+CH3COO]- 254.13978 183.0
[M+Na-2H]- 216.10060 144.5
[M]+ 195.12538 144.8
[M]- 195.12648 144.8
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.