CID 146155020

2416243-17-7

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
COC(=O)CC1=NN=C(S1)CN
InChI
InChI=1S/C6H9N3O2S/c1-11-6(10)2-4-8-9-5(3-7)12-4/h2-3,7H2,1H3
InChIKey
SMDDNGVIELVMKF-UHFFFAOYSA-N
Compound name
methyl 2-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04155 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.048826 137.6
[M+Na]+ 210.030768 146.6
[M-H]- 186.034274 138.8
[M+NH4]+ 205.075373 156.7
[M+K]+ 226.004708 144.9
[M+H-H2O]+ 170.038810 130.7
[M+HCOO]- 232.039751 156.0
[M+CH3COO]- 246.055401 180.2
[M+Na-2H]- 208.016216 139.1
[M]+ 187.04100142 140.4
[M]- 187.04209858 140.4
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.