CID 79521166

1-(aminomethyl)-n-benzyl-n-methylcyclobutan-1-amine

Structural Information

Molecular Formula
C13H20N2
SMILES
CN(CC1=CC=CC=C1)C2(CCC2)CN
InChI
InChI=1S/C13H20N2/c1-15(13(11-14)8-5-9-13)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,14H2,1H3
InChIKey
GLFIQASVJDZWCY-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-N-benzyl-N-methylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 150.1
[M+Na]+ 227.15186 153.5
[M-H]- 203.15536 156.9
[M+NH4]+ 222.19646 164.0
[M+K]+ 243.12580 154.9
[M+H-H2O]+ 187.15990 137.8
[M+HCOO]- 249.16084 173.2
[M+CH3COO]- 263.17649 196.6
[M+Na-2H]- 225.13731 155.2
[M]+ 204.16209 156.2
[M]- 204.16319 156.2
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.