CID 3062445

Crl 40833

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)NCC(=O)C1=CC(=CC=C1)OC
InChI
InChI=1S/C13H19NO2/c1-13(2,3)14-9-12(15)10-6-5-7-11(8-10)16-4/h5-8,14H,9H2,1-4H3
InChIKey
NPLBTGFMNPFAGQ-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.5
[M+Na]+ 244.13081 157.8
[M-H]- 220.13431 155.1
[M+NH4]+ 239.17541 169.9
[M+K]+ 260.10475 156.3
[M+H-H2O]+ 204.13885 145.5
[M+HCOO]- 266.13979 173.9
[M+CH3COO]- 280.15544 193.1
[M+Na-2H]- 242.11626 156.7
[M]+ 221.14104 153.5
[M]- 221.14214 153.5
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