CID 485405

90389-95-0

Structural Information

Molecular Formula
C10H14IN
SMILES
CCCNCC1=CC(=CC=C1)I
InChI
InChI=1S/C10H14IN/c1-2-6-12-8-9-4-3-5-10(11)7-9/h3-5,7,12H,2,6,8H2,1H3
InChIKey
LEPFIZCLEIWUJS-UHFFFAOYSA-N
Compound name
N-[(3-iodophenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

275.0171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.02438 148.9
[M+Na]+ 298.00632 148.5
[M-H]- 274.00982 145.2
[M+NH4]+ 293.05092 164.2
[M+K]+ 313.98026 151.8
[M+H-H2O]+ 258.01436 139.1
[M+HCOO]- 320.01530 168.4
[M+CH3COO]- 334.03095 191.6
[M+Na-2H]- 295.99177 143.1
[M]+ 275.01655 146.1
[M]- 275.01765 146.1
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

No patent data available for this compound.