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]+ 212.08367 145.6
[M+Na]+ 234.06561 152.4
[M-H]- 210.06911 152.0
[M+NH4]+ 229.11021 165.1
[M+K]+ 250.03955 149.3
[M+H-H2O]+ 194.07365 140.0
[M+HCOO]- 256.07459 161.9
[M+CH3COO]- 270.09024 158.1
[M+Na-2H]- 232.05106 152.2
[M]+ 211.07584 142.5
[M]- 211.07694 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