CID 145869363

2137628-75-0

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NCC1CC(C1)CC(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-9-4-8(5-9)6-10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
JQDUFLLXGZYFJU-UHFFFAOYSA-N
Compound name
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 163.2
[M+Na]+ 266.13628 164.9
[M+NH4]+ 261.18088 164.0
[M+K]+ 282.11022 164.2
[M-H]- 242.13978 158.5
[M+Na-2H]- 264.12173 161.0
[M]+ 243.14651 160.4
[M]- 243.14761 160.4
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.