CID 22246867

(4-cyclohexylphenyl)methanamine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCC(CC1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C13H19N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10,14H2
InChIKey
HOTDNAGZXRCBOK-UHFFFAOYSA-N
Compound name
(4-cyclohexylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

189.15175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 143.7
[M+Na]+ 212.14097 147.8
[M-H]- 188.14447 148.9
[M+NH4]+ 207.18557 162.5
[M+K]+ 228.11491 144.3
[M+H-H2O]+ 172.14901 136.6
[M+HCOO]- 234.14995 164.6
[M+CH3COO]- 248.16560 185.3
[M+Na-2H]- 210.12642 148.0
[M]+ 189.15120 136.8
[M]- 189.15230 136.8
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