CID 10957588

718638-97-2

Structural Information

Molecular Formula
C15H27NO5
SMILES
CC(C)(C)OC(=O)C1(CC(C1)CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO5/c1-13(2,3)20-11(18)15(7-10(8-15)9-17)16-12(19)21-14(4,5)6/h10,17H,7-9H2,1-6H3,(H,16,19)
InChIKey
NGEOQRVDCQPLGV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

301.18893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19621 176.2
[M+Na]+ 324.17815 178.4
[M-H]- 300.18165 177.7
[M+NH4]+ 319.22275 185.9
[M+K]+ 340.15209 182.0
[M+H-H2O]+ 284.18619 166.9
[M+HCOO]- 346.18713 190.9
[M+CH3COO]- 360.20278 205.6
[M+Na-2H]- 322.16360 178.0
[M]+ 301.18838 187.3
[M]- 301.18948 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe