CID 139022576

2344685-79-4

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)NCC1CC(C1)(CN)O
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-8-4-11(15,5-8)7-12/h8,15H,4-7,12H2,1-3H3,(H,13,14)
InChIKey
ZHTNQTRVKPVQOR-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(aminomethyl)-3-hydroxycyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16304 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 161.1
[M+Na]+ 253.15226 162.4
[M+NH4]+ 248.19686 163.8
[M+K]+ 269.12620 159.7
[M-H]- 229.15576 157.4
[M+Na-2H]- 251.13771 160.9
[M]+ 230.16249 158.7
[M]- 230.16359 158.7
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

No patent data available for this compound.