CID 165821007

2870702-31-9

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CC(C)(C)OC(=O)NC1CN(C1)C2=C(C=CC=N2)N
InChI
InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)16-9-7-17(8-9)11-10(14)5-4-6-15-11/h4-6,9H,7-8,14H2,1-3H3,(H,16,18)
InChIKey
DEZNEEVHSJIMSM-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(3-aminopyridin-2-yl)azetidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 167.2
[M+Na]+ 287.14785 171.2
[M-H]- 263.15135 170.3
[M+NH4]+ 282.19245 173.8
[M+K]+ 303.12179 172.5
[M+H-H2O]+ 247.15589 152.5
[M+HCOO]- 309.15683 185.0
[M+CH3COO]- 323.17248 203.8
[M+Na-2H]- 285.13330 170.0
[M]+ 264.15808 174.0
[M]- 264.15918 174.0
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.