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

14
Patents

255.19467 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.201946 165.2
[M+Na]+ 278.183888 167.1
[M-H]- 254.187394 164.7
[M+NH4]+ 273.228493 170.8
[M+K]+ 294.157828 168.2
[M+H-H2O]+ 238.191930 151.3
[M+HCOO]- 300.192871 174.9
[M+CH3COO]- 314.208521 194.9
[M+Na-2H]- 276.169336 166.0
[M]+ 255.19412142 168.7
[M]- 255.19521858 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