CID 2761683

190190-47-7

Structural Information

Molecular Formula
C13H19NO4S
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CS1)CC(=O)O
InChI
InChI=1S/C13H19NO4S/c1-13(2,3)18-12(17)14-9(8-11(15)16)7-10-5-4-6-19-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKey
USQYZXFFROGLRS-SECBINFHSA-N
Compound name
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1035 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11078 167.8
[M+Na]+ 308.09272 173.1
[M+NH4]+ 303.13732 172.9
[M+K]+ 324.06666 170.7
[M-H]- 284.09622 166.0
[M+Na-2H]- 306.07817 168.8
[M]+ 285.10295 168.0
[M]- 285.10405 168.0
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.