CID 24688728

Cyclobutyl(4-methoxyphenyl)methanamine

Structural Information

Molecular Formula
C12H17NO
SMILES
COC1=CC=C(C=C1)C(C2CCC2)N
InChI
InChI=1S/C12H17NO/c1-14-11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9,12H,2-4,13H2,1H3
InChIKey
RTEXSAKWKBDMGM-UHFFFAOYSA-N
Compound name
cyclobutyl-(4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.8
[M+Na]+ 214.12023 150.7
[M+NH4]+ 209.16483 148.7
[M+K]+ 230.09417 146.4
[M-H]- 190.12373 145.2
[M+Na-2H]- 212.10568 148.4
[M]+ 191.13046 143.9
[M]- 191.13156 143.9
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

No patent data available for this compound.