CID 13585933

16112-93-9

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CCC(CC1)(C(C2=CC=CC=C2)N)O
InChI
InChI=1S/C13H19NO/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,12,15H,2,5-6,9-10,14H2
InChIKey
QYZQCUZVVZWJDT-UHFFFAOYSA-N
Compound name
1-[amino(phenyl)methyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

205.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.8
[M+Na]+ 228.135888 152.2
[M-H]- 204.139394 152.6
[M+NH4]+ 223.180493 167.8
[M+K]+ 244.109828 149.1
[M+H-H2O]+ 188.143930 142.3
[M+HCOO]- 250.144871 167.3
[M+CH3COO]- 264.160521 184.1
[M+Na-2H]- 226.121336 153.0
[M]+ 205.14612142 140.8
[M]- 205.14721858 140.8
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