CID 72943020

78648-43-8

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CC1=C(C(=CS1)N)COC(=O)O
InChI
InChI=1S/C7H9NO3S/c1-4-5(2-11-7(9)10)6(8)3-12-4/h3H,2,8H2,1H3,(H,9,10)
InChIKey
AHVITGQGLRSQHP-UHFFFAOYSA-N
Compound name
(4-amino-2-methylthiophen-3-yl)methyl hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.03032 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 139.1
[M+Na]+ 210.01954 147.6
[M+NH4]+ 205.06414 146.4
[M+K]+ 225.99348 143.8
[M-H]- 186.02304 139.3
[M+Na-2H]- 208.00499 141.7
[M]+ 187.02977 140.4
[M]- 187.03087 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.