CID 54250128

Tert-butyl (2r)-2-amino-3-sulfanylpropanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CC(C)(C)OC(=O)[C@H](CS)N
InChI
InChI=1S/C7H15NO2S/c1-7(2,3)10-6(9)5(8)4-11/h5,11H,4,8H2,1-3H3/t5-/m0/s1
InChIKey
QWEFONOWYMLVTO-YFKPBYRVSA-N
Compound name
tert-butyl (2R)-2-amino-3-sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

177.08235 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.089626 140.1
[M+Na]+ 200.071568 146.2
[M-H]- 176.075074 140.1
[M+NH4]+ 195.116173 160.3
[M+K]+ 216.045508 145.7
[M+H-H2O]+ 160.079610 135.2
[M+HCOO]- 222.080551 155.5
[M+CH3COO]- 236.096201 181.8
[M+Na-2H]- 198.057016 140.8
[M]+ 177.08180142 142.2
[M]- 177.08289858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe