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]+ 262.110776 161.3
[M+Na]+ 284.092718 163.4
[M-H]- 260.096224 162.5
[M+NH4]+ 279.137323 172.3
[M+K]+ 300.066658 165.7
[M+H-H2O]+ 244.100760 150.7
[M+HCOO]- 306.101701 172.9
[M+CH3COO]- 320.117351 196.3
[M+Na-2H]- 282.078166 161.3
[M]+ 261.10295142 172.0
[M]- 261.10404858 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.