CID 46927778

Ec 696-357-0

Structural Information

Molecular Formula
C16H25NO3
SMILES
CC(C)(C)C1=CC(=C(C=C1N)OC(=O)OC)C(C)(C)C
InChI
InChI=1S/C16H25NO3/c1-15(2,3)10-8-11(16(4,5)6)13(9-12(10)17)20-14(18)19-7/h8-9H,17H2,1-7H3
InChIKey
NEMQZDZEKFZZJT-UHFFFAOYSA-N
Compound name
(5-amino-2,4-ditert-butylphenyl) methyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

216
Patents

279.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 167.0
[M+Na]+ 302.172658 174.3
[M-H]- 278.176164 170.7
[M+NH4]+ 297.217263 183.7
[M+K]+ 318.146598 173.2
[M+H-H2O]+ 262.180700 161.6
[M+HCOO]- 324.181641 186.4
[M+CH3COO]- 338.197291 204.6
[M+Na-2H]- 300.158106 169.4
[M]+ 279.18289142 170.6
[M]- 279.18398858 170.6
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