CID 129964434

1824267-06-2

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 153.3
[M+Na]+ 257.12605 157.2
[M-H]- 233.12955 157.8
[M+NH4]+ 252.17065 162.8
[M+K]+ 273.09999 158.4
[M+H-H2O]+ 217.13409 139.6
[M+HCOO]- 279.13503 174.0
[M+CH3COO]- 293.15068 195.9
[M+Na-2H]- 255.11150 157.3
[M]+ 234.13628 161.7
[M]- 234.13738 161.7
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.