CID 124249326

2108194-57-4

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NCC12CCC(C1)(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-8-12-4-5-13(6-12,7-12)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
QVHQRLLMORYKMS-UHFFFAOYSA-N
Compound name
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.0
[M+Na]+ 278.13628 158.9
[M+NH4]+ 273.18088 165.3
[M+K]+ 294.11022 158.2
[M-H]- 254.13978 152.3
[M+Na-2H]- 276.12173 155.8
[M]+ 255.14651 156.2
[M]- 255.14761 156.2
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.