CID 137698555

Tert-butyl 2-(3-hydroxy-2-oxoazepan-1-yl)acetate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)CN1CCCCC(C1=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-10(15)8-13-7-5-4-6-9(14)11(13)16/h9,14H,4-8H2,1-3H3
InChIKey
XMZBNDPTJNSBBU-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-hydroxy-2-oxoazepan-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 153.4
[M+Na]+ 266.13628 159.7
[M+NH4]+ 261.18088 157.9
[M+K]+ 282.11022 158.3
[M-H]- 242.13978 151.3
[M+Na-2H]- 264.12173 154.9
[M]+ 243.14651 153.3
[M]- 243.14761 153.3
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

No patent data available for this compound.