CID 15881001

Ethyl 6-(methylamino)hexanoate hydrochloride

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCOC(=O)CCCCCNC
InChI
InChI=1S/C9H19NO2/c1-3-12-9(11)7-5-4-6-8-10-2/h10H,3-8H2,1-2H3
InChIKey
ASRGBYKUXOPYAJ-UHFFFAOYSA-N
Compound name
ethyl 6-(methylamino)hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

173.14159 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 142.0
[M+Na]+ 196.13081 147.2
[M-H]- 172.13431 141.8
[M+NH4]+ 191.17541 162.2
[M+K]+ 212.10475 147.0
[M+H-H2O]+ 156.13885 136.5
[M+HCOO]- 218.13979 165.6
[M+CH3COO]- 232.15544 184.3
[M+Na-2H]- 194.11626 146.4
[M]+ 173.14104 145.1
[M]- 173.14214 145.1
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