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]+ 206.08455 146.0
[M+Na]+ 228.06649 151.6
[M-H]- 204.06999 146.4
[M+NH4]+ 223.11109 165.2
[M+K]+ 244.04043 151.6
[M+H-H2O]+ 188.07453 140.9
[M+HCOO]- 250.07547 161.1
[M+CH3COO]- 264.09112 186.8
[M+Na-2H]- 226.05194 146.4
[M]+ 205.07672 149.5
[M]- 205.07782 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