CID 28971

[2-(aminomethyl)cyclobutyl]methanamine

Structural Information

Molecular Formula
C6H14N2
SMILES
C1CC(C1CN)CN
InChI
InChI=1S/C6H14N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-4,7-8H2
InChIKey
ZBLACDIKXKCJGF-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

222
Patents

114.1157 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.12298 126.8
[M+Na]+ 137.10492 131.2
[M+NH4]+ 132.14952 131.4
[M+K]+ 153.07886 127.9
[M-H]- 113.10842 126.4
[M+Na-2H]- 135.09037 128.7
[M]+ 114.11515 125.8
[M]- 114.11625 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe