CID 121599273

2137476-62-9

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CN(C)C(C1=CSC=N1)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-9(2)6(7(10)11)5-3-12-4-8-5/h3-4,6H,1-2H3,(H,10,11)
InChIKey
JWRTXRBABLLRJO-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-(1,3-thiazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 139.4
[M+Na]+ 209.035518 146.3
[M-H]- 185.039024 142.1
[M+NH4]+ 204.080123 159.5
[M+K]+ 225.009458 145.9
[M+H-H2O]+ 169.043560 132.9
[M+HCOO]- 231.044501 157.2
[M+CH3COO]- 245.060151 182.4
[M+Na-2H]- 207.020966 139.9
[M]+ 186.04575142 141.6
[M]- 186.04684858 141.6
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.