CID 65494961

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

Structural Information

Molecular Formula
C11H23NO2
SMILES
CCCOC(=O)C[C@H](CC(C)C)CN
InChI
InChI=1S/C11H23NO2/c1-4-5-14-11(13)7-10(8-12)6-9(2)3/h9-10H,4-8,12H2,1-3H3/t10-/m0/s1
InChIKey
NYYKBBLMUACATG-JTQLQIEISA-N
Compound name
propyl (3S)-3-(aminomethyl)-5-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.17288 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 152.8
[M+Na]+ 224.16210 156.8
[M-H]- 200.16560 151.9
[M+NH4]+ 219.20670 171.5
[M+K]+ 240.13604 156.6
[M+H-H2O]+ 184.17014 147.1
[M+HCOO]- 246.17108 173.1
[M+CH3COO]- 260.18673 191.4
[M+Na-2H]- 222.14755 152.5
[M]+ 201.17233 154.3
[M]- 201.17343 154.3
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

No patent data available for this compound.