CID 121439991

Ripa-56

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCC(C)(C)C(=O)N(CC1=CC=CC=C1)O
InChI
InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
InChIKey
AVYVHIKSFXVDBG-UHFFFAOYSA-N
Compound name
N-benzyl-N-hydroxy-2,2-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17191
Patents

221.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.0
[M+Na]+ 244.13081 157.1
[M-H]- 220.13431 155.3
[M+NH4]+ 239.17541 170.0
[M+K]+ 260.10475 156.0
[M+H-H2O]+ 204.13885 145.9
[M+HCOO]- 266.13979 173.4
[M+CH3COO]- 280.15544 192.8
[M+Na-2H]- 242.11626 156.7
[M]+ 221.14104 153.0
[M]- 221.14214 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe