CID 105518977

1780885-59-7

Structural Information

Molecular Formula
C13H25N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2(COC2)CN
InChI
InChI=1S/C13H25N3O3/c1-12(2,3)19-11(17)15-4-6-16(7-5-15)13(8-14)9-18-10-13/h4-10,14H2,1-3H3
InChIKey
WNOIKMDUPKLYFK-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-(aminomethyl)oxetan-3-yl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.1896 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.19688 166.7
[M+Na]+ 294.17882 168.6
[M-H]- 270.18232 169.3
[M+NH4]+ 289.22342 173.7
[M+K]+ 310.15276 172.4
[M+H-H2O]+ 254.18686 153.9
[M+HCOO]- 316.18780 178.9
[M+CH3COO]- 330.20345 200.5
[M+Na-2H]- 292.16427 169.4
[M]+ 271.18905 172.2
[M]- 271.19015 172.2
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