CID 154575261

1823977-00-9

Structural Information

Molecular Formula
C13H25N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CN2CCNCC2
InChI
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-9-11(10-16)8-15-6-4-14-5-7-15/h11,14H,4-10H2,1-3H3
InChIKey
GJMPUOWMDZXVAD-UHFFFAOYSA-N
Compound name
tert-butyl 3-(piperazin-1-ylmethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

255.19467 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20195 164.8
[M+Na]+ 278.18389 168.5
[M+NH4]+ 273.22849 166.2
[M+K]+ 294.15783 166.4
[M-H]- 254.18739 161.2
[M+Na-2H]- 276.16934 164.6
[M]+ 255.19412 162.7
[M]- 255.19522 162.7
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