CID 59418325

1236861-90-7

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC2=NC=CC=N2
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-8-10(9-16)7-11-14-5-4-6-15-11/h4-6,10H,7-9H2,1-3H3
InChIKey
SEOBJDCODJJFLV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(pyrimidin-2-ylmethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

249.14772 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.154996 159.9
[M+Na]+ 272.136938 165.3
[M-H]- 248.140444 161.9
[M+NH4]+ 267.181543 166.7
[M+K]+ 288.110878 166.5
[M+H-H2O]+ 232.144980 145.8
[M+HCOO]- 294.145921 175.4
[M+CH3COO]- 308.161571 196.2
[M+Na-2H]- 270.122386 164.2
[M]+ 249.14717142 169.4
[M]- 249.14826858 169.4
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

patents stripe