CID 170917805

At48180

Structural Information

Molecular Formula
C13H25N3O2
SMILES
CC1(CNC1)N2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H25N3O2/c1-12(2,3)18-11(17)15-5-7-16(8-6-15)13(4)9-14-10-13/h14H,5-10H2,1-4H3
InChIKey
PNBCDENCIPCEAJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-methylazetidin-3-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 166.4
[M+Na]+ 278.18389 169.2
[M-H]- 254.18739 166.3
[M+NH4]+ 273.22849 174.1
[M+K]+ 294.15783 170.6
[M+H-H2O]+ 238.19193 153.8
[M+HCOO]- 300.19287 176.2
[M+CH3COO]- 314.20852 194.5
[M+Na-2H]- 276.16934 168.3
[M]+ 255.19412 170.3
[M]- 255.19522 170.3
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