CID 102024813

4-butyl-2-iodoaniline

Structural Information

Molecular Formula
C10H14IN
SMILES
CCCCC1=CC(=C(C=C1)N)I
InChI
InChI=1S/C10H14IN/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7H,2-4,12H2,1H3
InChIKey
DTKKJAFRZCQONF-UHFFFAOYSA-N
Compound name
4-butyl-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0171 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02438 149.5
[M+Na]+ 298.00632 150.1
[M-H]- 274.00982 145.8
[M+NH4]+ 293.05092 165.0
[M+K]+ 313.98026 153.1
[M+H-H2O]+ 258.01436 140.0
[M+HCOO]- 320.01530 168.5
[M+CH3COO]- 334.03095 192.0
[M+Na-2H]- 295.99177 142.0
[M]+ 275.01655 146.2
[M]- 275.01765 146.2
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

No patent data available for this compound.