CID 79441976

2-(4-chlorophenyl)-5-methoxypentan-1-amine

Structural Information

Molecular Formula
C12H18ClNO
SMILES
COCCCC(CN)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H18ClNO/c1-15-8-2-3-11(9-14)10-4-6-12(13)7-5-10/h4-7,11H,2-3,8-9,14H2,1H3
InChIKey
KBMZRAMRDRFCRF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-methoxypentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1077 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11498 152.2
[M+Na]+ 250.09692 158.9
[M-H]- 226.10042 154.8
[M+NH4]+ 245.14152 170.8
[M+K]+ 266.07086 154.7
[M+H-H2O]+ 210.10496 146.6
[M+HCOO]- 272.10590 170.8
[M+CH3COO]- 286.12155 192.3
[M+Na-2H]- 248.08237 155.5
[M]+ 227.10715 154.6
[M]- 227.10825 154.6
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.