CID 57995209

952150-25-3

Structural Information

Molecular Formula
C14H27N3O4
SMILES
CC(C)(C)OC(=O)N1CCNCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C14H27N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17(16)12(19)21-14(4,5)6/h15H,7-10H2,1-6H3
InChIKey
YIMCWBVHSGIENW-UHFFFAOYSA-N
Compound name
ditert-butyl 1,2,5-triazepane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

301.20016 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.20744 166.4
[M+Na]+ 324.18938 168.9
[M-H]- 300.19288 165.4
[M+NH4]+ 319.23398 176.3
[M+K]+ 340.16332 173.4
[M+H-H2O]+ 284.19742 158.2
[M+HCOO]- 346.19836 175.8
[M+CH3COO]- 360.21401 200.0
[M+Na-2H]- 322.17483 168.1
[M]+ 301.19961 162.6
[M]- 301.20071 162.6
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