CID 80133314

1531116-78-5

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC(=C(C=C1)OC)C2CC(C2)N
InChI
InChI=1S/C12H17NO2/c1-14-10-3-4-12(15-2)11(7-10)8-5-9(13)6-8/h3-4,7-9H,5-6,13H2,1-2H3
InChIKey
BXTDFNBKTSOHNU-UHFFFAOYSA-N
Compound name
3-(2,5-dimethoxyphenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 144.1
[M+Na]+ 230.11515 150.2
[M-H]- 206.11865 150.4
[M+NH4]+ 225.15975 156.4
[M+K]+ 246.08909 151.5
[M+H-H2O]+ 190.12319 132.1
[M+HCOO]- 252.12413 166.6
[M+CH3COO]- 266.13978 193.3
[M+Na-2H]- 228.10060 147.5
[M]+ 207.12538 153.0
[M]- 207.12648 153.0
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.