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

18
Patents

249.14772 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 159.9
[M+Na]+ 272.13694 165.3
[M-H]- 248.14044 161.9
[M+NH4]+ 267.18154 166.7
[M+K]+ 288.11088 166.5
[M+H-H2O]+ 232.14498 145.8
[M+HCOO]- 294.14592 175.4
[M+CH3COO]- 308.16157 196.2
[M+Na-2H]- 270.12239 164.2
[M]+ 249.14717 169.4
[M]- 249.14827 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