CID 1229

64584-34-5

Structural Information

Molecular Formula
C11H16INO2
SMILES
CC(CC1=CC(=C(C=C1OC)I)OC)N
InChI
InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKey
BGMZUEKZENQUJY-UHFFFAOYSA-N
Compound name
1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

978
References

2092
Patents

321.02258 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.02986 162.4
[M+Na]+ 344.01180 163.0
[M-H]- 320.01530 158.9
[M+NH4]+ 339.05640 176.1
[M+K]+ 359.98574 167.2
[M+H-H2O]+ 304.01984 152.4
[M+HCOO]- 366.02078 180.4
[M+CH3COO]- 380.03643 200.7
[M+Na-2H]- 341.99725 152.2
[M]+ 321.02203 161.8
[M]- 321.02313 161.8
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