CID 165942965

Tert-butyl n-[(3-formyloxetan-3-yl)methyl]carbamate

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)NCC1(COC1)C=O
InChI
InChI=1S/C10H17NO4/c1-9(2,3)15-8(13)11-4-10(5-12)6-14-7-10/h5H,4,6-7H2,1-3H3,(H,11,13)
InChIKey
PSOZAVUSLMHMEN-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-formyloxetan-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.11575 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 147.7
[M+Na]+ 238.10497 151.8
[M-H]- 214.10847 151.6
[M+NH4]+ 233.14957 160.1
[M+K]+ 254.07891 156.4
[M+H-H2O]+ 198.11301 138.1
[M+HCOO]- 260.11395 167.2
[M+CH3COO]- 274.12960 190.2
[M+Na-2H]- 236.09042 154.4
[M]+ 215.11520 159.1
[M]- 215.11630 159.1
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.