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]+ 228.114976 152.2
[M+Na]+ 250.096918 158.9
[M-H]- 226.100424 154.8
[M+NH4]+ 245.141523 170.8
[M+K]+ 266.070858 154.7
[M+H-H2O]+ 210.104960 146.6
[M+HCOO]- 272.105901 170.8
[M+CH3COO]- 286.121551 192.3
[M+Na-2H]- 248.082366 155.5
[M]+ 227.10715142 154.6
[M]- 227.10824858 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.