CID 3018943

N,n,3,5,5-pentamethylhexanamide

Structural Information

Molecular Formula
C11H23NO
SMILES
CC(CC(=O)N(C)C)CC(C)(C)C
InChI
InChI=1S/C11H23NO/c1-9(8-11(2,3)4)7-10(13)12(5)6/h9H,7-8H2,1-6H3
InChIKey
DPBOCZZMRUVIDT-UHFFFAOYSA-N
Compound name
N,N,3,5,5-pentamethylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.17796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.185236 146.8
[M+Na]+ 208.167178 151.8
[M-H]- 184.170684 148.3
[M+NH4]+ 203.211783 167.4
[M+K]+ 224.141118 152.9
[M+H-H2O]+ 168.175220 141.9
[M+HCOO]- 230.176161 167.5
[M+CH3COO]- 244.191811 192.4
[M+Na-2H]- 206.152626 149.0
[M]+ 185.17741142 149.3
[M]- 185.17850858 149.3
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