CID 137951776

2219370-86-0

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NC1(CC(=O)C1)COC
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-11(7-15-4)5-8(13)6-11/h5-7H2,1-4H3,(H,12,14)
InChIKey
RTLBKTVJZHUBJL-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(methoxymethyl)-3-oxocyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 153.2
[M+Na]+ 252.12063 157.7
[M-H]- 228.12413 156.6
[M+NH4]+ 247.16523 166.5
[M+K]+ 268.09457 161.2
[M+H-H2O]+ 212.12867 143.8
[M+HCOO]- 274.12961 173.2
[M+CH3COO]- 288.14526 194.3
[M+Na-2H]- 250.10608 157.6
[M]+ 229.13086 164.7
[M]- 229.13196 164.7
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.