CID 10197909

2-[hexyl(methyl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCCCCN(C)CC(=O)O
InChI
InChI=1S/C9H19NO2/c1-3-4-5-6-7-10(2)8-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKey
LTMXJQDZLBBTHS-UHFFFAOYSA-N
Compound name
2-[hexyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

173.14159 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 142.4
[M+Na]+ 196.13081 147.3
[M-H]- 172.13431 142.2
[M+NH4]+ 191.17541 162.4
[M+K]+ 212.10475 147.5
[M+H-H2O]+ 156.13885 136.9
[M+HCOO]- 218.13979 164.9
[M+CH3COO]- 232.15544 185.8
[M+Na-2H]- 194.11626 145.5
[M]+ 173.14104 144.9
[M]- 173.14214 144.9
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