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]+ 228.19580 160.4
[M+Na]+ 250.17774 162.5
[M-H]- 226.18124 161.9
[M+NH4]+ 245.22234 179.2
[M+K]+ 266.15168 161.6
[M+H-H2O]+ 210.18578 153.9
[M+HCOO]- 272.18672 179.3
[M+CH3COO]- 286.20237 193.5
[M+Na-2H]- 248.16319 157.5
[M]+ 227.18797 157.8
[M]- 227.18907 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.