CID 22242836

1-boc-3-azido-azetidine

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

77
Patents

198.11168 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11896 143.4
[M+Na]+ 221.10090 147.6
[M-H]- 197.10440 148.1
[M+NH4]+ 216.14550 155.1
[M+K]+ 237.07484 147.2
[M+H-H2O]+ 181.10894 135.0
[M+HCOO]- 243.10988 168.0
[M+CH3COO]- 257.12553 189.9
[M+Na-2H]- 219.08635 151.5
[M]+ 198.11113 150.1
[M]- 198.11223 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