CID 67114425

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

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CCOCC1)CO
InChI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-11(8-13)4-6-15-7-5-11/h13H,4-8H2,1-3H3,(H,12,14)
InChIKey
QNPYJTQBCNHGDM-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(hydroxymethyl)oxan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

231.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 153.4
[M+Na]+ 254.136278 157.1
[M-H]- 230.139784 155.4
[M+NH4]+ 249.180883 170.9
[M+K]+ 270.110218 158.1
[M+H-H2O]+ 214.144320 148.6
[M+HCOO]- 276.145261 170.2
[M+CH3COO]- 290.160911 187.0
[M+Na-2H]- 252.121726 159.6
[M]+ 231.14651142 151.9
[M]- 231.14760858 151.9
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