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 146.0
[M+Na]+ 239.13662 148.9
[M-H]- 215.14012 144.9
[M+NH4]+ 234.18122 159.6
[M+K]+ 255.11056 152.3
[M+H-H2O]+ 199.14466 139.0
[M+HCOO]- 261.14560 158.3
[M+CH3COO]- 275.16125 183.1
[M+Na-2H]- 237.12207 148.7
[M]+ 216.14685 139.0
[M]- 216.14795 139.0
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