CID 43501033

1154308-86-7

Structural Information

Molecular Formula
C11H23NO2
SMILES
CC(CC(=O)NCCO)CC(C)(C)C
InChI
InChI=1S/C11H23NO2/c1-9(8-11(2,3)4)7-10(14)12-5-6-13/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKey
JECPTUXNSPVAST-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.17288 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 151.8
[M+Na]+ 224.16210 156.1
[M-H]- 200.16560 150.3
[M+NH4]+ 219.20670 170.3
[M+K]+ 240.13604 155.4
[M+H-H2O]+ 184.17014 147.0
[M+HCOO]- 246.17108 170.7
[M+CH3COO]- 260.18673 188.2
[M+Na-2H]- 222.14755 154.1
[M]+ 201.17233 152.5
[M]- 201.17343 152.5
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

No patent data available for this compound.