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

11
Patents

205.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.2
[M+Na]+ 228.13589 159.8
[M+NH4]+ 223.18049 159.6
[M+K]+ 244.10983 151.4
[M-H]- 204.13939 153.6
[M+Na-2H]- 226.12134 157.8
[M]+ 205.14612 151.9
[M]- 205.14722 151.9
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