CID 129964434

1-n-cbz-3-(methylaminomethyl)azetidine

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CNCC1CN(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c1-14-7-12-8-15(9-12)13(16)17-10-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
InChIKey
KKHWCQYKDLBRBJ-UHFFFAOYSA-N
Compound name
benzyl 3-(methylaminomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.2
[M+Na]+ 257.12605 161.6
[M+NH4]+ 252.17065 158.5
[M+K]+ 273.09999 157.4
[M-H]- 233.12955 155.1
[M+Na-2H]- 255.11150 159.0
[M]+ 234.13628 154.7
[M]- 234.13738 154.7
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.