CID 54536434

4-(3-iodophenyl)morpholine

Structural Information

Molecular Formula
C10H12INO
SMILES
C1COCCN1C2=CC(=CC=C2)I
InChI
InChI=1S/C10H12INO/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7H2
InChIKey
ZACIRAVARVYABO-UHFFFAOYSA-N
Compound name
4-(3-iodophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

288.99637 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00365 145.1
[M+Na]+ 311.98559 144.1
[M-H]- 287.98909 143.0
[M+NH4]+ 307.03019 157.1
[M+K]+ 327.95953 148.7
[M+H-H2O]+ 271.99363 133.8
[M+HCOO]- 333.99457 159.3
[M+CH3COO]- 348.01022 188.2
[M+Na-2H]- 309.97104 140.1
[M]+ 288.99582 139.0
[M]- 288.99692 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe