CID 16227742

929975-41-7

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CC1=CN2C=C(N=C2C=C1)CSCC(=O)O
InChI
InChI=1S/C11H12N2O2S/c1-8-2-3-10-12-9(5-13(10)4-8)6-16-7-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKey
OEMCOZVHEFNSMU-UHFFFAOYSA-N
Compound name
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06195 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.069226 149.9
[M+Na]+ 259.051168 160.7
[M-H]- 235.054674 151.5
[M+NH4]+ 254.095773 168.4
[M+K]+ 275.025108 156.6
[M+H-H2O]+ 219.059210 143.7
[M+HCOO]- 281.060151 166.4
[M+CH3COO]- 295.075801 187.3
[M+Na-2H]- 257.036616 152.6
[M]+ 236.06140142 155.5
[M]- 236.06249858 155.5
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.