CID 16641708

1210893-58-5

Structural Information

Molecular Formula
C12H16ClNO
SMILES
C1COCCC1(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClNO/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4H,5-9,14H2
InChIKey
UTGGGJYBZQCSBX-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

225.09204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 150.2
[M+Na]+ 248.08126 156.6
[M-H]- 224.08476 156.4
[M+NH4]+ 243.12586 169.1
[M+K]+ 264.05520 153.2
[M+H-H2O]+ 208.08930 144.3
[M+HCOO]- 270.09024 166.1
[M+CH3COO]- 284.10589 187.6
[M+Na-2H]- 246.06671 156.3
[M]+ 225.09149 147.4
[M]- 225.09259 147.4
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