CID 57415900

1-boc-3-hydroxy-3-(aminomethyl)azetidine

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)O
InChI
InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-5-9(13,4-10)6-11/h13H,4-6,10H2,1-3H3
InChIKey
NVEHYSKQUSAZBP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

202.13174 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 151.0
[M+Na]+ 225.12096 155.7
[M-H]- 201.12446 151.4
[M+NH4]+ 220.16556 163.2
[M+K]+ 241.09490 158.5
[M+H-H2O]+ 185.12900 141.1
[M+HCOO]- 247.12994 167.8
[M+CH3COO]- 261.14559 186.8
[M+Na-2H]- 223.10641 154.4
[M]+ 202.13119 158.7
[M]- 202.13229 158.7
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