CID 24273947

4-(4-chlorophenyl)oxan-4-amine

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C1COCCC1(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11/h1-4H,5-8,13H2
InChIKey
IQQJXGCJVZABIF-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.07639 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 145.6
[M+Na]+ 234.065608 152.4
[M-H]- 210.069114 152.0
[M+NH4]+ 229.110213 165.1
[M+K]+ 250.039548 149.3
[M+H-H2O]+ 194.073650 140.0
[M+HCOO]- 256.074591 161.9
[M+CH3COO]- 270.090241 158.1
[M+Na-2H]- 232.051056 152.2
[M]+ 211.07584142 142.5
[M]- 211.07693858 142.5
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