CID 21947072

1503735-25-8

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(C=C1)C=O)O
InChI
InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-5-4-8(7-14)10(15)6-9/h4-7,15H,1-3H3,(H,13,16)
InChIKey
WSRXACNIQCOCDJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-formyl-3-hydroxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.10011 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 151.8
[M+Na]+ 260.089328 159.2
[M-H]- 236.092834 154.6
[M+NH4]+ 255.133933 169.0
[M+K]+ 276.063268 157.7
[M+H-H2O]+ 220.097370 146.1
[M+HCOO]- 282.098311 173.7
[M+CH3COO]- 296.113961 190.8
[M+Na-2H]- 258.074776 156.6
[M]+ 237.09956142 154.0
[M]- 237.10065858 154.0
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