CID 137949923

2172158-53-9

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)OC(=O)N1CCCC2=C(C1)C=C(O2)C(=O)O
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-6-4-5-10-9(8-15)7-11(19-10)12(16)17/h7H,4-6,8H2,1-3H3,(H,16,17)
InChIKey
WDVVOFQWNNNNMR-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydrofuro[3,2-c]azepine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1263 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 162.5
[M+Na]+ 304.11552 168.7
[M+NH4]+ 299.16012 166.9
[M+K]+ 320.08946 169.8
[M-H]- 280.11902 161.3
[M+Na-2H]- 302.10097 162.7
[M]+ 281.12575 162.7
[M]- 281.12685 162.7
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.