CID 24274673

2-(3-aminopropyl)-4-methyl-1,3-thiazole-5-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC1=C(SC(=N1)CCCN)C(=O)O
InChI
InChI=1S/C8H12N2O2S/c1-5-7(8(11)12)13-6(10-5)3-2-4-9/h2-4,9H2,1H3,(H,11,12)
InChIKey
GQFHNAGWAQRSRP-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06195 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 142.7
[M+Na]+ 223.05117 151.0
[M-H]- 199.05467 143.8
[M+NH4]+ 218.09577 162.0
[M+K]+ 239.02511 148.0
[M+H-H2O]+ 183.05921 136.7
[M+HCOO]- 245.06015 160.1
[M+CH3COO]- 259.07580 182.8
[M+Na-2H]- 221.03662 142.1
[M]+ 200.06140 144.3
[M]- 200.06250 144.3
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

No patent data available for this compound.