CID 58592072

4-(n-boc-n-methylamino)-benzaldehyde

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC(C)(C)OC(=O)N(C)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14(4)11-7-5-10(9-15)6-8-11/h5-9H,1-4H3
InChIKey
FVFMKIIPSLKNFS-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

235.12085 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.5
[M+Na]+ 258.11007 164.0
[M+NH4]+ 253.15467 160.2
[M+K]+ 274.08401 159.6
[M-H]- 234.11357 154.5
[M+Na-2H]- 256.09552 159.0
[M]+ 235.12030 155.1
[M]- 235.12140 155.1
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