CID 11241181

80354-38-7

Structural Information

Molecular Formula
C8H15NO3S
SMILES
C[C@@H](C(=O)S)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H15NO3S/c1-5(6(10)13)9-7(11)12-8(2,3)4/h5H,1-4H3,(H,9,11)(H,10,13)/t5-/m0/s1
InChIKey
XOUNMZDIMUZMTD-YFKPBYRVSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

205.07727 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.084546 146.0
[M+Na]+ 228.066488 151.6
[M-H]- 204.069994 146.4
[M+NH4]+ 223.111093 165.2
[M+K]+ 244.040428 151.6
[M+H-H2O]+ 188.074530 140.9
[M+HCOO]- 250.075471 161.1
[M+CH3COO]- 264.091121 186.8
[M+Na-2H]- 226.051936 146.4
[M]+ 205.07672142 149.5
[M]- 205.07781858 149.5
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

patents stripe