CID 43632391

1807891-10-6

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC(=CC=C1)C2CC(C2)N
InChI
InChI=1S/C11H15N/c1-8-3-2-4-9(5-8)10-6-11(12)7-10/h2-5,10-11H,6-7,12H2,1H3
InChIKey
NKCAYYBRJAIRRB-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 133.5
[M+Na]+ 184.109668 139.6
[M-H]- 160.113174 139.8
[M+NH4]+ 179.154273 147.6
[M+K]+ 200.083608 140.0
[M+H-H2O]+ 144.117710 122.2
[M+HCOO]- 206.118651 156.0
[M+CH3COO]- 220.134301 185.2
[M+Na-2H]- 182.095116 138.2
[M]+ 161.11990142 139.0
[M]- 161.12099858 139.0
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.