CID 155973054

2648945-02-0

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)NC1COC2(CC1C2)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-8-6-17-12(9(14)15)4-7(8)5-12/h7-8H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
DSAGBPMTGBRZHH-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 170.0
[M+Na]+ 280.11552 171.9
[M-H]- 256.11902 167.6
[M+NH4]+ 275.16012 183.8
[M+K]+ 296.08946 176.5
[M+H-H2O]+ 240.12356 161.6
[M+HCOO]- 302.12450 178.3
[M+CH3COO]- 316.14015 200.5
[M+Na-2H]- 278.10097 178.7
[M]+ 257.12575 182.7
[M]- 257.12685 182.7
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.