CID 24273640

[1-(4-methoxyphenyl)cyclohexyl]methanamine

Structural Information

Molecular Formula
C14H21NO
SMILES
COC1=CC=C(C=C1)C2(CCCCC2)CN
InChI
InChI=1S/C14H21NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-11,15H2,1H3
InChIKey
RYTWCTSDMHVTPC-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.0
[M+Na]+ 242.15153 156.6
[M-H]- 218.15503 157.4
[M+NH4]+ 237.19613 171.5
[M+K]+ 258.12547 153.7
[M+H-H2O]+ 202.15957 145.0
[M+HCOO]- 264.16051 172.7
[M+CH3COO]- 278.17616 189.9
[M+Na-2H]- 240.13698 156.7
[M]+ 219.16176 147.2
[M]- 219.16286 147.2
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