CID 54594356

(2-cyclobutoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H15NO
SMILES
C1CC(C1)OC2=CC=CC=C2CN
InChI
InChI=1S/C11H15NO/c12-8-9-4-1-2-7-11(9)13-10-5-3-6-10/h1-2,4,7,10H,3,5-6,8,12H2
InChIKey
JUHKDIJPAIQKKO-UHFFFAOYSA-N
Compound name
(2-cyclobutyloxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.8
[M+Na]+ 200.10459 140.8
[M-H]- 176.10809 141.6
[M+NH4]+ 195.14919 148.9
[M+K]+ 216.07853 141.7
[M+H-H2O]+ 160.11263 123.9
[M+HCOO]- 222.11357 158.5
[M+CH3COO]- 236.12922 186.1
[M+Na-2H]- 198.09004 141.3
[M]+ 177.11482 142.3
[M]- 177.11592 142.3
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