CID 177799825

Methyl (3s)-3-amino-5-methanesulfonylpentanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO4S
SMILES
COC(=O)C[C@@H](CCS(=O)(=O)C)N
InChI
InChI=1S/C7H15NO4S/c1-12-7(9)5-6(8)3-4-13(2,10)11/h6H,3-5,8H2,1-2H3/t6-/m1/s1
InChIKey
NRMJADUWFUICCJ-ZCFIWIBFSA-N
Compound name
methyl (3S)-3-amino-5-methylsulfonylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07217 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07945 144.5
[M+Na]+ 232.06139 150.6
[M-H]- 208.06489 144.2
[M+NH4]+ 227.10599 163.0
[M+K]+ 248.03533 149.8
[M+H-H2O]+ 192.06943 139.1
[M+HCOO]- 254.07037 160.6
[M+CH3COO]- 268.08602 184.9
[M+Na-2H]- 230.04684 145.5
[M]+ 209.07162 148.0
[M]- 209.07272 148.0
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.