CID 44319400

Methyl (3s)-3-(aminomethyl)-5-methylhexanoate hydrochloride

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)C[C@@H](CC(=O)OC)CN
InChI
InChI=1S/C9H19NO2/c1-7(2)4-8(6-10)5-9(11)12-3/h7-8H,4-6,10H2,1-3H3/t8-/m0/s1
InChIKey
JDFPGFRTUSUWNI-QMMMGPOBSA-N
Compound name
methyl (3S)-3-(aminomethyl)-5-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
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 143.5
[M+Na]+ 196.13081 148.3
[M-H]- 172.13431 143.0
[M+NH4]+ 191.17541 163.3
[M+K]+ 212.10475 148.6
[M+H-H2O]+ 156.13885 138.1
[M+HCOO]- 218.13979 164.4
[M+CH3COO]- 232.15544 185.3
[M+Na-2H]- 194.11626 144.2
[M]+ 173.14104 144.2
[M]- 173.14214 144.2
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