CID 165623516

2228388-58-5

Structural Information

Molecular Formula
C14H27N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCN2CCNCC2
InChI
InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-10-12(11-17)4-7-16-8-5-15-6-9-16/h12,15H,4-11H2,1-3H3
InChIKey
BZOXRQTZCFGJBW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-piperazin-1-ylethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.21033 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.217606 169.6
[M+Na]+ 292.199548 171.1
[M-H]- 268.203054 168.9
[M+NH4]+ 287.244153 174.7
[M+K]+ 308.173488 172.0
[M+H-H2O]+ 252.207590 155.6
[M+HCOO]- 314.208531 179.0
[M+CH3COO]- 328.224181 197.8
[M+Na-2H]- 290.184996 169.9
[M]+ 269.20978142 173.5
[M]- 269.21087858 173.5
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

No patent data available for this compound.