CID 65492690

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

Structural Information

Molecular Formula
C13H25NO2
SMILES
CC(C)C[C@@H](CC(=O)OC1CCCC1)CN
InChI
InChI=1S/C13H25NO2/c1-10(2)7-11(9-14)8-13(15)16-12-5-3-4-6-12/h10-12H,3-9,14H2,1-2H3/t11-/m0/s1
InChIKey
KYJLVEAIIWLWII-NSHDSACASA-N
Compound name
cyclopentyl (3S)-3-(aminomethyl)-5-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.18852 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.195796 160.4
[M+Na]+ 250.177738 162.5
[M-H]- 226.181244 161.9
[M+NH4]+ 245.222343 179.2
[M+K]+ 266.151678 161.6
[M+H-H2O]+ 210.185780 153.9
[M+HCOO]- 272.186721 179.3
[M+CH3COO]- 286.202371 193.5
[M+Na-2H]- 248.163186 157.5
[M]+ 227.18797142 157.8
[M]- 227.18906858 157.8
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.