CID 53256969

1-(3-methoxyphenyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H15NO
SMILES
COC1=CC=CC(=C1)C2(CCC2)N
InChI
InChI=1S/C11H15NO/c1-13-10-5-2-4-9(8-10)11(12)6-3-7-11/h2,4-5,8H,3,6-7,12H2,1H3
InChIKey
PPKMJRHXTNEBGP-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

177.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.0
[M+Na]+ 200.10459 143.9
[M-H]- 176.10809 144.3
[M+NH4]+ 195.14919 153.1
[M+K]+ 216.07853 144.9
[M+H-H2O]+ 160.11263 127.2
[M+HCOO]- 222.11357 160.7
[M+CH3COO]- 236.12922 185.7
[M+Na-2H]- 198.09004 144.3
[M]+ 177.11482 144.8
[M]- 177.11592 144.8
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