CID 177799393

3026595-65-0

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)NC1CC(C1)OCCCN
InChI
InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-9-7-10(8-9)16-6-4-5-13/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKey
NRFGTQPSBABKGK-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(3-aminopropoxy)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.185976 162.6
[M+Na]+ 267.167918 164.5
[M-H]- 243.171424 164.7
[M+NH4]+ 262.212523 172.6
[M+K]+ 283.141858 167.5
[M+H-H2O]+ 227.175960 150.3
[M+HCOO]- 289.176901 182.0
[M+CH3COO]- 303.192551 200.8
[M+Na-2H]- 265.153366 163.8
[M]+ 244.17815142 171.4
[M]- 244.17924858 171.4
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.