CID 118798500

1823301-45-6

Structural Information

Molecular Formula
C15H28N2O5
SMILES
CC(C)(C)OC(=O)N1CCN(CC(C1)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O5/c1-14(2,3)21-12(19)16-7-8-17(10-11(18)9-16)13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3
InChIKey
CNXHKECPYYPLBF-UHFFFAOYSA-N
Compound name
ditert-butyl 6-hydroxy-1,4-diazepane-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

316.19983 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20711 167.4
[M+Na]+ 339.18905 170.1
[M-H]- 315.19255 167.9
[M+NH4]+ 334.23365 178.3
[M+K]+ 355.16299 175.5
[M+H-H2O]+ 299.19709 160.7
[M+HCOO]- 361.19803 178.1
[M+CH3COO]- 375.21368 203.4
[M+Na-2H]- 337.17450 168.4
[M]+ 316.19928 165.4
[M]- 316.20038 165.4
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