CID 18524015

[4-(4-methylphenyl)oxan-4-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1=CC=C(C=C1)C2(CCOCC2)CN
InChI
InChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)13(10-14)6-8-15-9-7-13/h2-5H,6-10,14H2,1H3
InChIKey
JSUULOSSQLONME-UHFFFAOYSA-N
Compound name
[4-(4-methylphenyl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

205.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.7
[M+Na]+ 228.135888 152.9
[M-H]- 204.139394 154.0
[M+NH4]+ 223.180493 166.6
[M+K]+ 244.109828 151.3
[M+H-H2O]+ 188.143930 141.0
[M+HCOO]- 250.144871 167.9
[M+CH3COO]- 264.160521 186.9
[M+Na-2H]- 226.121336 153.9
[M]+ 205.14612142 143.2
[M]- 205.14721858 143.2
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