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]+ 237.06923 149.9
[M+Na]+ 259.05117 160.7
[M-H]- 235.05467 151.5
[M+NH4]+ 254.09577 168.4
[M+K]+ 275.02511 156.6
[M+H-H2O]+ 219.05921 143.7
[M+HCOO]- 281.06015 166.4
[M+CH3COO]- 295.07580 187.3
[M+Na-2H]- 257.03662 152.6
[M]+ 236.06140 155.5
[M]- 236.06250 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.