CID 105511196

2470438-11-8

Structural Information

Molecular Formula
C13H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC2CNC2
InChI
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-6-4-15(5-7-16)10-11-8-14-9-11/h11,14H,4-10H2,1-3H3
InChIKey
WTCYIEFEBCJCIA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(azetidin-3-ylmethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
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 165.2
[M+Na]+ 278.18389 167.1
[M-H]- 254.18739 164.7
[M+NH4]+ 273.22849 170.8
[M+K]+ 294.15783 168.2
[M+H-H2O]+ 238.19193 151.3
[M+HCOO]- 300.19287 174.9
[M+CH3COO]- 314.20852 194.9
[M+Na-2H]- 276.16934 166.0
[M]+ 255.19412 168.7
[M]- 255.19522 168.7
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