CID 22242836

429672-02-6

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)N=[N+]=[N-]
InChI
InChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)12-4-6(5-12)10-11-9/h6H,4-5H2,1-3H3
InChIKey
ZHQJKBCCOFSQEM-UHFFFAOYSA-N
Compound name
tert-butyl 3-azidoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

198.11168 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.118956 143.4
[M+Na]+ 221.100898 147.6
[M-H]- 197.104404 148.1
[M+NH4]+ 216.145503 155.1
[M+K]+ 237.074838 147.2
[M+H-H2O]+ 181.108940 135.0
[M+HCOO]- 243.109881 168.0
[M+CH3COO]- 257.125531 189.9
[M+Na-2H]- 219.086346 151.5
[M]+ 198.11113142 150.1
[M]- 198.11222858 150.1
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