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

4
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 133.0
[M+Na]+ 184.109668 138.2
[M-H]- 160.113174 138.9
[M+NH4]+ 179.154273 146.9
[M+K]+ 200.083608 138.6
[M+H-H2O]+ 144.117710 121.5
[M+HCOO]- 206.118651 155.6
[M+CH3COO]- 220.134301 184.1
[M+Na-2H]- 182.095116 138.5
[M]+ 161.11990142 138.1
[M]- 161.12099858 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

patents stripe