CID 57690878

Tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCNCC(C1)O
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(13)7-12/h8,11,13H,4-7H2,1-3H3
InChIKey
GBVLDEOLVSGEJQ-UHFFFAOYSA-N
Compound name
tert-butyl 6-hydroxy-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

216.1474 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 147.7
[M+Na]+ 239.13662 153.7
[M+NH4]+ 234.18122 152.2
[M+K]+ 255.11056 152.7
[M-H]- 215.14012 145.1
[M+Na-2H]- 237.12207 149.4
[M]+ 216.14685 147.4
[M]- 216.14795 147.4
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

patents stripe