CID 177798367

Tert-butyl n-[3-(hydroxymethyl)-3-(methoxymethyl)cyclobutyl]carbamate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)NC1CC(C1)(CO)COC
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-9-5-12(6-9,7-14)8-16-4/h9,14H,5-8H2,1-4H3,(H,13,15)
InChIKey
OAHFDXQNILJQKJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(hydroxymethyl)-3-(methoxymethyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 160.8
[M+Na]+ 268.15192 164.0
[M-H]- 244.15542 162.5
[M+NH4]+ 263.19652 172.8
[M+K]+ 284.12586 167.0
[M+H-H2O]+ 228.15996 151.1
[M+HCOO]- 290.16090 178.6
[M+CH3COO]- 304.17655 195.6
[M+Na-2H]- 266.13737 163.9
[M]+ 245.16215 171.4
[M]- 245.16325 171.4
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.