CID 87517123

Tert-butyl n-[4-(2-oxoethyl)oxan-4-yl]carbamate

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CCOCC1)CC=O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-12(4-7-14)5-8-16-9-6-12/h7H,4-6,8-9H2,1-3H3,(H,13,15)
InChIKey
IJKVPVDYBHYHIF-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(2-oxoethyl)oxan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.14706 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 155.8
[M+Na]+ 266.136278 159.8
[M-H]- 242.139784 159.1
[M+NH4]+ 261.180883 173.5
[M+K]+ 282.110218 160.9
[M+H-H2O]+ 226.144320 150.7
[M+HCOO]- 288.145261 174.0
[M+CH3COO]- 302.160911 191.6
[M+Na-2H]- 264.121726 162.0
[M]+ 243.14651142 155.9
[M]- 243.14760858 155.9
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

patents stripe