CID 72208229

1-boc-3-aminomethyl-3-methoxyazetidine

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)OC
InChI
InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-6-10(5-11,7-12)14-4/h5-7,11H2,1-4H3
InChIKey
WFBNSXNNEABLBC-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-methoxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

216.1474 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 153.8
[M+Na]+ 239.13662 158.6
[M-H]- 215.14012 155.4
[M+NH4]+ 234.18122 166.2
[M+K]+ 255.11056 161.9
[M+H-H2O]+ 199.14466 143.6
[M+HCOO]- 261.14560 171.8
[M+CH3COO]- 275.16125 192.1
[M+Na-2H]- 237.12207 157.4
[M]+ 216.14685 163.7
[M]- 216.14795 163.7
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