CID 75456243

Tert-butyl n-[1-(4-oxooxan-3-yl)ethyl]carbamate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C1COCCC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-8(9-7-16-6-5-10(9)14)13-11(15)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKey
IVXFXTPGIXURKS-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-oxooxan-3-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 156.3
[M+Na]+ 266.136278 160.1
[M-H]- 242.139784 159.7
[M+NH4]+ 261.180883 172.2
[M+K]+ 282.110218 161.3
[M+H-H2O]+ 226.144320 150.5
[M+HCOO]- 288.145261 173.5
[M+CH3COO]- 302.160911 194.2
[M+Na-2H]- 264.121726 159.3
[M]+ 243.14651142 155.7
[M]- 243.14760858 155.7
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.