CID 6504198

[3-(4-chlorophenoxy)propyl](methyl)amine

Structural Information

Molecular Formula
C10H14ClNO
SMILES
CNCCCOC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H14ClNO/c1-12-7-2-8-13-10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKey
HZMWCNCPSPAYGP-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

199.07639 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08367 141.9
[M+Na]+ 222.06561 149.8
[M-H]- 198.06911 145.3
[M+NH4]+ 217.11021 162.0
[M+K]+ 238.03955 146.0
[M+H-H2O]+ 182.07365 136.6
[M+HCOO]- 244.07459 162.9
[M+CH3COO]- 258.09024 186.1
[M+Na-2H]- 220.05106 148.7
[M]+ 199.07584 145.3
[M]- 199.07694 145.3
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