CID 65941053

Tert-butyl 3-amino-3-propylazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CCCC1(CN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C11H22N2O2/c1-5-6-11(12)7-13(8-11)9(14)15-10(2,3)4/h5-8,12H2,1-4H3
InChIKey
CSGZUVOFVRUKIN-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-propylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 156.1
[M+Na]+ 237.15734 160.7
[M-H]- 213.16084 157.7
[M+NH4]+ 232.20194 168.8
[M+K]+ 253.13128 163.3
[M+H-H2O]+ 197.16538 146.0
[M+HCOO]- 259.16632 173.6
[M+CH3COO]- 273.18197 193.0
[M+Na-2H]- 235.14279 159.0
[M]+ 214.16757 165.0
[M]- 214.16867 165.0
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.