CID 126623302

1932812-70-8

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CCCOC[C@H]1C(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-6-16-7-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey
NFDWYOLYCHSXTO-QMMMGPOBSA-N
Compound name
(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.12633 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 153.8
[M+Na]+ 268.11555 159.4
[M+NH4]+ 263.16015 157.6
[M+K]+ 284.08949 159.6
[M-H]- 244.11905 152.2
[M+Na-2H]- 266.10100 154.4
[M]+ 245.12578 153.7
[M]- 245.12688 153.7
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

patents stripe