CID 43146603

1-(4-ethoxyphenyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CCOC1=CC=C(C=C1)C2(CCC2)N
InChI
InChI=1S/C12H17NO/c1-2-14-11-6-4-10(5-7-11)12(13)8-3-9-12/h4-7H,2-3,8-9,13H2,1H3
InChIKey
RDRYLPTTWVMTSF-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.6
[M+Na]+ 214.12023 148.1
[M-H]- 190.12373 148.7
[M+NH4]+ 209.16483 157.1
[M+K]+ 230.09417 148.8
[M+H-H2O]+ 174.12827 131.6
[M+HCOO]- 236.12921 165.0
[M+CH3COO]- 250.14486 188.6
[M+Na-2H]- 212.10568 148.3
[M]+ 191.13046 149.7
[M]- 191.13156 149.7
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.