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]+ 244.154336 161.7
[M+Na]+ 266.136278 162.9
[M-H]- 242.139784 162.8
[M+NH4]+ 261.180883 171.1
[M+K]+ 282.110218 166.3
[M+H-H2O]+ 226.144320 150.1
[M+HCOO]- 288.145261 177.7
[M+CH3COO]- 302.160911 195.8
[M+Na-2H]- 264.121726 161.6
[M]+ 243.14651142 169.5
[M]- 243.14760858 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.