CID 68190926

(4-cyclobutylphenyl)methanamine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC(C1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H15N/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-7,10H,1-3,8,12H2
InChIKey
PKIOIODUNLLKMU-UHFFFAOYSA-N
Compound name
(4-cyclobutylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 133.0
[M+Na]+ 184.10967 138.2
[M-H]- 160.11317 138.9
[M+NH4]+ 179.15427 146.9
[M+K]+ 200.08361 138.6
[M+H-H2O]+ 144.11771 121.5
[M+HCOO]- 206.11865 155.6
[M+CH3COO]- 220.13430 184.1
[M+Na-2H]- 182.09512 138.5
[M]+ 161.11990 138.1
[M]- 161.12100 138.1
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.