CID 121237713

1858250-19-7

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NCC(C1CCC1)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-9(10(14)15)8-5-4-6-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
KRTPOTRMUZEEHK-UHFFFAOYSA-N
Compound name
2-cyclobutyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 161.7
[M+Na]+ 266.13628 162.9
[M-H]- 242.13978 162.8
[M+NH4]+ 261.18088 171.1
[M+K]+ 282.11022 166.3
[M+H-H2O]+ 226.14432 150.1
[M+HCOO]- 288.14526 177.7
[M+CH3COO]- 302.16091 195.8
[M+Na-2H]- 264.12173 161.6
[M]+ 243.14651 169.5
[M]- 243.14761 169.5
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.