CID 69689004

Tert-butyl 2-cyanoazetidine-1-carboxylate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)(C)OC(=O)N1CCC1C#N
InChI
InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-5H2,1-3H3
InChIKey
WUFVFANOTQZHBP-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyanoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

182.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 136.8
[M+Na]+ 205.094748 143.6
[M-H]- 181.098254 138.9
[M+NH4]+ 200.139353 148.0
[M+K]+ 221.068688 147.8
[M+H-H2O]+ 165.102790 120.2
[M+HCOO]- 227.103731 151.9
[M+CH3COO]- 241.119381 196.5
[M+Na-2H]- 203.080196 140.9
[M]+ 182.10498142 140.6
[M]- 182.10607858 140.6
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