CID 121002073

Tert-butyl 4-hydroxy-2-methoxyphenylcarbamate

Structural Information

Molecular Formula
C12H17NO4
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)O)OC
InChI
InChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-9-6-5-8(14)7-10(9)16-4/h5-7,14H,1-4H3,(H,13,15)
InChIKey
UUWWYFQJCAFFSU-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-hydroxy-2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

239.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 153.2
[M+Na]+ 262.104968 160.3
[M-H]- 238.108474 156.0
[M+NH4]+ 257.149573 170.5
[M+K]+ 278.078908 159.4
[M+H-H2O]+ 222.113010 147.5
[M+HCOO]- 284.113951 174.9
[M+CH3COO]- 298.129601 191.7
[M+Na-2H]- 260.090416 157.9
[M]+ 239.11520142 156.1
[M]- 239.11629858 156.1
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