CID 57732267

Tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)N1CCOCC(C1)CO
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-4-5-15-8-9(6-12)7-13/h9,13H,4-8H2,1-3H3
InChIKey
SLJSFXUOECCLPA-UHFFFAOYSA-N
Compound name
tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

231.14706 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 146.7
[M+Na]+ 254.13628 149.4
[M-H]- 230.13978 148.6
[M+NH4]+ 249.18088 160.3
[M+K]+ 270.11022 154.8
[M+H-H2O]+ 214.14432 140.6
[M+HCOO]- 276.14526 160.8
[M+CH3COO]- 290.16091 187.7
[M+Na-2H]- 252.12173 150.5
[M]+ 231.14651 143.3
[M]- 231.14761 143.3
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

patents stripe