CID 138987711

2305255-01-8

Structural Information

Molecular Formula
C13H25NO5
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)(OC)OC)CO
InChI
InChI=1S/C13H25NO5/c1-11(2,3)19-10(16)14-8-12(9-15)6-13(7-12,17-4)18-5/h15H,6-9H2,1-5H3,(H,14,16)
InChIKey
YTPQKVDFEZMIGZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(hydroxymethyl)-3,3-dimethoxycyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.180556 167.3
[M+Na]+ 298.162498 170.8
[M-H]- 274.166004 169.1
[M+NH4]+ 293.207103 180.0
[M+K]+ 314.136438 174.4
[M+H-H2O]+ 258.170540 159.0
[M+HCOO]- 320.171481 184.9
[M+CH3COO]- 334.187131 200.3
[M+Na-2H]- 296.147946 171.6
[M]+ 275.17273142 180.2
[M]- 275.17382858 180.2
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.