CID 2728863

85006-25-3

Structural Information

Molecular Formula
C10H19NO5
SMILES
CC(C)(C)OC(=O)NOC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO5/c1-9(2,3)14-7(12)11-16-8(13)15-10(4,5)6/h1-6H3,(H,11,12)
InChIKey
AGOSGCWATIJZHQ-UHFFFAOYSA-N
Compound name
tert-butyl [(2-methylpropan-2-yl)oxycarbonylamino] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

766
Patents

233.12633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13361 152.1
[M+Na]+ 256.11555 158.2
[M-H]- 232.11905 152.7
[M+NH4]+ 251.16015 170.3
[M+K]+ 272.08949 160.1
[M+H-H2O]+ 216.12359 147.7
[M+HCOO]- 278.12453 172.4
[M+CH3COO]- 292.14018 190.1
[M+Na-2H]- 254.10100 157.1
[M]+ 233.12578 157.2
[M]- 233.12688 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe