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 175.7
[M+Na]+ 278.13628 178.8
[M-H]- 254.13978 174.9
[M+NH4]+ 273.18088 195.6
[M+K]+ 294.11022 180.2
[M+H-H2O]+ 238.14432 170.1
[M+HCOO]- 300.14526 189.0
[M+CH3COO]- 314.16091 197.5
[M+Na-2H]- 276.12173 181.2
[M]+ 255.14651 189.0
[M]- 255.14761 189.0
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.