CID 86325499

(2s)-2-(iodomethyl)oxetane

Structural Information

Molecular Formula
C4H7IO
SMILES
C1CO[C@@H]1CI
InChI
InChI=1S/C4H7IO/c5-3-4-1-2-6-4/h4H,1-3H2/t4-/m0/s1
InChIKey
JVPHNTROOBLPKR-BYPYZUCNSA-N
Compound name
(2S)-2-(iodomethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.95416 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96144 120.4
[M+Na]+ 220.94338 119.9
[M-H]- 196.94688 117.9
[M+NH4]+ 215.98798 131.7
[M+K]+ 236.91732 129.5
[M+H-H2O]+ 180.95142 108.0
[M+HCOO]- 242.95236 137.5
[M+CH3COO]- 256.96801 177.0
[M+Na-2H]- 218.92883 117.2
[M]+ 197.95361 125.9
[M]- 197.95471 125.9
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