CID 106300353

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

Structural Information

Molecular Formula
C11H20ClNO3
SMILES
CC(C)(C)OC(=O)NC1(CCOCC1)CCl
InChI
InChI=1S/C11H20ClNO3/c1-10(2,3)16-9(14)13-11(8-12)4-6-15-7-5-11/h4-8H2,1-3H3,(H,13,14)
InChIKey
IBJFEVCZJVVMMI-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12045 156.1
[M+Na]+ 272.10239 161.0
[M-H]- 248.10589 159.5
[M+NH4]+ 267.14699 174.5
[M+K]+ 288.07633 160.3
[M+H-H2O]+ 232.11043 152.0
[M+HCOO]- 294.11137 169.6
[M+CH3COO]- 308.12702 191.1
[M+Na-2H]- 270.08784 162.1
[M]+ 249.11262 156.9
[M]- 249.11372 156.9
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

No patent data available for this compound.