CID 165946229

2703775-15-7

Structural Information

Molecular Formula
C11H19NO4S
SMILES
CC(C)(C)OC(=O)NC1CC(C1)(C(=O)O)SC
InChI
InChI=1S/C11H19NO4S/c1-10(2,3)16-9(15)12-7-5-11(6-7,17-4)8(13)14/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
LMFFCNHPPNZNRD-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfanylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1035 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11078 161.3
[M+Na]+ 284.09272 163.4
[M-H]- 260.09622 162.5
[M+NH4]+ 279.13732 172.3
[M+K]+ 300.06666 165.7
[M+H-H2O]+ 244.10076 150.7
[M+HCOO]- 306.10170 172.9
[M+CH3COO]- 320.11735 196.3
[M+Na-2H]- 282.07817 161.3
[M]+ 261.10295 172.0
[M]- 261.10405 172.0
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.