CID 177801965

Tert-butyl n-[(3-oxooxan-2-yl)methyl]carbamate

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NCC1C(=O)CCCO1
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-9-8(13)5-4-6-15-9/h9H,4-7H2,1-3H3,(H,12,14)
InChIKey
SFNHVOADIGEITO-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-oxooxan-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.138686 151.9
[M+Na]+ 252.120628 156.3
[M-H]- 228.124134 155.4
[M+NH4]+ 247.165233 168.4
[M+K]+ 268.094568 157.3
[M+H-H2O]+ 212.128670 146.1
[M+HCOO]- 274.129611 170.4
[M+CH3COO]- 288.145261 190.3
[M+Na-2H]- 250.106076 156.6
[M]+ 229.13086142 151.6
[M]- 229.13195858 151.6
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.