CID 14052847

6-(dimethylamino)hexanoic acid

Structural Information

Molecular Formula
C8H17NO2
SMILES
CN(C)CCCCCC(=O)O
InChI
InChI=1S/C8H17NO2/c1-9(2)7-5-3-4-6-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKey
SWCSXNZBAVHUMT-UHFFFAOYSA-N
Compound name
6-(dimethylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1309
Patents

159.12593 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.8
[M+Na]+ 182.115148 143.1
[M-H]- 158.118654 137.8
[M+NH4]+ 177.159753 158.3
[M+K]+ 198.089088 143.6
[M+H-H2O]+ 142.123190 132.5
[M+HCOO]- 204.124131 160.6
[M+CH3COO]- 218.139781 182.8
[M+Na-2H]- 180.100596 141.4
[M]+ 159.12538142 139.9
[M]- 159.12647858 139.9
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