CID 57849

Brn 2693282

Structural Information

Molecular Formula
C11H15ClIN
SMILES
CCN(CCI)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H15ClIN/c1-2-14(8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9H2,1H3
InChIKey
YGGWIMXHQMJMIX-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-N-ethyl-2-iodoethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.99377 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.00105 157.3
[M+Na]+ 345.98299 157.5
[M-H]- 321.98649 154.6
[M+NH4]+ 341.02759 172.2
[M+K]+ 361.95693 159.8
[M+H-H2O]+ 305.99103 147.8
[M+HCOO]- 367.99197 172.7
[M+CH3COO]- 382.00762 201.3
[M+Na-2H]- 343.96844 150.0
[M]+ 322.99322 158.0
[M]- 322.99432 158.0
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.