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]+ 235.144106 153.3
[M+Na]+ 257.126048 157.2
[M-H]- 233.129554 157.8
[M+NH4]+ 252.170653 162.8
[M+K]+ 273.099988 158.4
[M+H-H2O]+ 217.134090 139.6
[M+HCOO]- 279.135031 174.0
[M+CH3COO]- 293.150681 195.9
[M+Na-2H]- 255.111496 157.3
[M]+ 234.13628142 161.7
[M]- 234.13737858 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.