CID 15085550

2-amino-5-(propan-2-yl)thiophene-3-carboxylic acid

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CC(C)C1=CC(=C(S1)N)C(=O)O
InChI
InChI=1S/C8H11NO2S/c1-4(2)6-3-5(8(10)11)7(9)12-6/h3-4H,9H2,1-2H3,(H,10,11)
InChIKey
ASHBREDDKSMEBB-UHFFFAOYSA-N
Compound name
2-amino-5-propan-2-ylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

185.05106 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 139.5
[M+Na]+ 208.04028 147.5
[M-H]- 184.04378 142.1
[M+NH4]+ 203.08488 160.6
[M+K]+ 224.01422 145.0
[M+H-H2O]+ 168.04832 134.5
[M+HCOO]- 230.04926 157.0
[M+CH3COO]- 244.06491 181.0
[M+Na-2H]- 206.02573 137.9
[M]+ 185.05051 140.0
[M]- 185.05161 140.0
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