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]+ 205.169916 150.1
[M+Na]+ 227.151858 153.5
[M-H]- 203.155364 156.9
[M+NH4]+ 222.196463 164.0
[M+K]+ 243.125798 154.9
[M+H-H2O]+ 187.159900 137.8
[M+HCOO]- 249.160841 173.2
[M+CH3COO]- 263.176491 196.6
[M+Na-2H]- 225.137306 155.2
[M]+ 204.16209142 156.2
[M]- 204.16318858 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.