CID 121207975

2098051-42-2

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1(CC(C1)(CNC(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C13H23NO4/c1-11(2,3)18-10(17)14-8-13(9(15)16)6-12(4,5)7-13/h6-8H2,1-5H3,(H,14,17)(H,15,16)
InChIKey
WDFVPBQEHWJFSC-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 165.3
[M+Na]+ 280.151938 169.1
[M-H]- 256.155444 167.3
[M+NH4]+ 275.196543 178.7
[M+K]+ 296.125878 172.0
[M+H-H2O]+ 240.159980 157.4
[M+HCOO]- 302.160921 181.9
[M+CH3COO]- 316.176571 198.3
[M+Na-2H]- 278.137386 168.1
[M]+ 257.16217142 175.4
[M]- 257.16326858 175.4
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.