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
1
Annotation Hits

0
References

223
Patents

279.18344 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 167.0
[M+Na]+ 302.17266 174.3
[M-H]- 278.17616 170.7
[M+NH4]+ 297.21726 183.7
[M+K]+ 318.14660 173.2
[M+H-H2O]+ 262.18070 161.6
[M+HCOO]- 324.18164 186.4
[M+CH3COO]- 338.19729 204.6
[M+Na-2H]- 300.15811 169.4
[M]+ 279.18289 170.6
[M]- 279.18399 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