CID 36134310

125802-03-1

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CC=C(C=C1)C2(CCCCC2)N
InChI
InChI=1S/C13H19N/c1-11-5-7-12(8-6-11)13(14)9-3-2-4-10-13/h5-8H,2-4,9-10,14H2,1H3
InChIKey
WJYHWINVMQDINN-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

189.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.0
[M+Na]+ 212.14097 157.4
[M+NH4]+ 207.18557 156.5
[M+K]+ 228.11491 147.6
[M-H]- 188.14447 150.8
[M+Na-2H]- 210.12642 154.9
[M]+ 189.15120 148.6
[M]- 189.15230 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe