CID 60922512

Sodium 2-[5-methyl-4-(propan-2-yl)-1,3-thiazol-2-yl]acetate

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CC1=C(N=C(S1)CC(=O)O)C(C)C
InChI
InChI=1S/C9H13NO2S/c1-5(2)9-6(3)13-7(10-9)4-8(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKey
VIELPSWNZADKHA-UHFFFAOYSA-N
Compound name
2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 143.0
[M+Na]+ 222.05592 151.6
[M-H]- 198.05942 144.7
[M+NH4]+ 217.10052 163.0
[M+K]+ 238.02986 149.4
[M+H-H2O]+ 182.06396 137.6
[M+HCOO]- 244.06490 158.7
[M+CH3COO]- 258.08055 182.4
[M+Na-2H]- 220.04137 141.4
[M]+ 199.06615 146.2
[M]- 199.06725 146.2
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.