CID 22084

N,n-dimethylhexanamide

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCCCC(=O)N(C)C
InChI
InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3
InChIKey
OAERLTPBKQBWHJ-UHFFFAOYSA-N
Compound name
N,N-dimethylhexanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

846
Patents

143.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.2
[M+Na]+ 166.120228 140.1
[M-H]- 142.123734 135.8
[M+NH4]+ 161.164833 156.4
[M+K]+ 182.094168 141.1
[M+H-H2O]+ 126.128270 129.0
[M+HCOO]- 188.129211 158.4
[M+CH3COO]- 202.144861 182.8
[M+Na-2H]- 164.105676 138.5
[M]+ 143.13046142 136.8
[M]- 143.13155858 136.8
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