CID 84116590

2-(4-chlorophenyl)-3-methoxypropan-1-amine

Structural Information

Molecular Formula
C10H14ClNO
SMILES
COCC(CN)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H14ClNO/c1-13-7-9(6-12)8-2-4-10(11)5-3-8/h2-5,9H,6-7,12H2,1H3
InChIKey
VBVWPVNCCBHELE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-methoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.07639 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08367 142.8
[M+Na]+ 222.06561 150.4
[M-H]- 198.06911 145.8
[M+NH4]+ 217.11021 162.6
[M+K]+ 238.03955 146.8
[M+H-H2O]+ 182.07365 137.7
[M+HCOO]- 244.07459 162.1
[M+CH3COO]- 258.09024 186.3
[M+Na-2H]- 220.05106 147.2
[M]+ 199.07584 144.5
[M]- 199.07694 144.5
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

patents stripe