CID 71279891

Tert-butyl 3-(1-aminoethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CC(C1CN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C10H20N2O2/c1-7(11)8-5-12(6-8)9(13)14-10(2,3)4/h7-8H,5-6,11H2,1-4H3
InChIKey
JSURSCDQTBSUPP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-aminoethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

200.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 152.4
[M+Na]+ 223.141698 156.2
[M-H]- 199.145204 153.8
[M+NH4]+ 218.186303 163.4
[M+K]+ 239.115638 159.4
[M+H-H2O]+ 183.149740 140.8
[M+HCOO]- 245.150681 169.2
[M+CH3COO]- 259.166331 191.4
[M+Na-2H]- 221.127146 153.2
[M]+ 200.15193142 159.8
[M]- 200.15302858 159.8
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