CID 10705884

180690-93-1

Structural Information

Molecular Formula
C13H17NO4
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC=C1OC)C=O
InChI
InChI=1S/C13H17NO4/c1-13(2,3)18-12(16)14-11-9(8-15)6-5-7-10(11)17-4/h5-8H,1-4H3,(H,14,16)
InChIKey
JVLARPBIRYFAFJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formyl-6-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

251.11575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 155.8
[M+Na]+ 274.104968 163.2
[M-H]- 250.108474 159.9
[M+NH4]+ 269.149573 173.2
[M+K]+ 290.078908 162.4
[M+H-H2O]+ 234.113010 149.7
[M+HCOO]- 296.113951 178.9
[M+CH3COO]- 310.129601 196.3
[M+Na-2H]- 272.090416 160.6
[M]+ 251.11520142 160.3
[M]- 251.11629858 160.3
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