CID 89401371

2-iodo-4-propylaniline

Structural Information

Molecular Formula
C9H12IN
SMILES
CCCC1=CC(=C(C=C1)N)I
InChI
InChI=1S/C9H12IN/c1-2-3-7-4-5-9(11)8(10)6-7/h4-6H,2-3,11H2,1H3
InChIKey
DTEWTHJIDLKRFR-UHFFFAOYSA-N
Compound name
2-iodo-4-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

261.00146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00874 142.5
[M+Na]+ 283.99068 147.6
[M+NH4]+ 279.03528 147.3
[M+K]+ 299.96462 143.7
[M-H]- 259.99418 139.5
[M+Na-2H]- 281.97613 136.8
[M]+ 261.00091 141.3
[M]- 261.00201 141.3
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