CID 67366831

1327366-67-5

Structural Information

Molecular Formula
C7H6N2O2S
SMILES
COC(=O)C1=CC2=C(N1)N=CS2
InChI
InChI=1S/C7H6N2O2S/c1-11-7(10)4-2-5-6(9-4)8-3-12-5/h2-3,9H,1H3
InChIKey
NNMYQMZSIGPQHV-UHFFFAOYSA-N
Compound name
methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

182.015 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.022276 135.5
[M+Na]+ 205.004218 147.3
[M-H]- 181.007724 137.8
[M+NH4]+ 200.048823 157.9
[M+K]+ 220.978158 145.0
[M+H-H2O]+ 165.012260 130.4
[M+HCOO]- 227.013201 154.3
[M+CH3COO]- 241.028851 149.9
[M+Na-2H]- 202.989666 138.1
[M]+ 182.01445142 140.3
[M]- 182.01554858 140.3
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

patents stripe