CID 122163712

2-tert-butyl-5-(iodomethyl)-4,5-dihydro-1,3-oxazole

Structural Information

Molecular Formula
C8H14INO
SMILES
CC(C)(C)C1=NCC(O1)CI
InChI
InChI=1S/C8H14INO/c1-8(2,3)7-10-5-6(4-9)11-7/h6H,4-5H2,1-3H3
InChIKey
SNDMCVYOFDMOOW-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-(iodomethyl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.01202 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.01930 143.9
[M+Na]+ 290.00124 144.9
[M-H]- 266.00474 139.9
[M+NH4]+ 285.04584 159.4
[M+K]+ 305.97518 150.8
[M+H-H2O]+ 250.00928 135.1
[M+HCOO]- 312.01022 159.3
[M+CH3COO]- 326.02587 185.8
[M+Na-2H]- 287.98669 137.6
[M]+ 267.01147 142.6
[M]- 267.01257 142.6
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.