CID 73553256

Tert-butyl 5-(hydroxymethyl)-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(NCC1)CO
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-9(8-14)12-5-7-13/h9,12,14H,4-8H2,1-3H3
InChIKey
LBFVJWLSDNHZJF-UHFFFAOYSA-N
Compound name
tert-butyl 5-(hydroxymethyl)-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 151.9
[M+Na]+ 253.15226 157.7
[M+NH4]+ 248.19686 156.2
[M+K]+ 269.12620 156.4
[M-H]- 229.15576 149.2
[M+Na-2H]- 251.13771 153.3
[M]+ 230.16249 151.5
[M]- 230.16359 151.5
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

patents stripe