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]+ 276.18056 167.3
[M+Na]+ 298.16250 170.8
[M-H]- 274.16600 169.1
[M+NH4]+ 293.20710 180.0
[M+K]+ 314.13644 174.4
[M+H-H2O]+ 258.17054 159.0
[M+HCOO]- 320.17148 184.9
[M+CH3COO]- 334.18713 200.3
[M+Na-2H]- 296.14795 171.6
[M]+ 275.17273 180.2
[M]- 275.17383 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.