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-amino-2-pyridinyl)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]+ 265.165906 167.2
[M+Na]+ 287.147848 171.2
[M-H]- 263.151354 170.3
[M+NH4]+ 282.192453 173.8
[M+K]+ 303.121788 172.5
[M+H-H2O]+ 247.155890 152.5
[M+HCOO]- 309.156831 185.0
[M+CH3COO]- 323.172481 203.8
[M+Na-2H]- 285.133296 170.0
[M]+ 264.15808142 174.0
[M]- 264.15917858 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.