CID 24274638

1365964-53-9

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
COC(=O)CC1=CSC(=N1)CN
InChI
InChI=1S/C7H10N2O2S/c1-11-7(10)2-5-4-12-6(3-8)9-5/h4H,2-3,8H2,1H3
InChIKey
DIWYCZDQSIMCEJ-UHFFFAOYSA-N
Compound name
methyl 2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 138.4
[M+Na]+ 209.03552 146.9
[M-H]- 185.03902 140.9
[M+NH4]+ 204.08012 158.9
[M+K]+ 225.00946 145.1
[M+H-H2O]+ 169.04356 132.1
[M+HCOO]- 231.04450 157.8
[M+CH3COO]- 245.06015 180.4
[M+Na-2H]- 207.02097 139.5
[M]+ 186.04575 141.1
[M]- 186.04685 141.1
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.