CID 115071688

1889627-03-5

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CCC1)CCC(=O)O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(6-4-7-12)8-5-9(14)15/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
YBRBMRYWSUQNOF-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 161.5
[M+Na]+ 266.136278 163.9
[M-H]- 242.139784 162.9
[M+NH4]+ 261.180883 173.0
[M+K]+ 282.110218 166.8
[M+H-H2O]+ 226.144320 151.6
[M+HCOO]- 288.145261 178.5
[M+CH3COO]- 302.160911 194.4
[M+Na-2H]- 264.121726 163.9
[M]+ 243.14651142 170.4
[M]- 243.14760858 170.4
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.