CID 76223581

L-2-amino-3-methylenehexanoic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCCC(=C)C(C(=O)O)N
InChI
InChI=1S/C7H13NO2/c1-3-4-5(2)6(8)7(9)10/h6H,2-4,8H2,1H3,(H,9,10)
InChIKey
ZJMPUKNPMYTOOX-UHFFFAOYSA-N
Compound name
2-amino-3-methylidenehexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 133.2
[M+Na]+ 166.08386 138.6
[M-H]- 142.08736 131.5
[M+NH4]+ 161.12846 153.2
[M+K]+ 182.05780 137.9
[M+H-H2O]+ 126.09190 128.4
[M+HCOO]- 188.09284 153.4
[M+CH3COO]- 202.10849 176.5
[M+Na-2H]- 164.06931 134.4
[M]+ 143.09409 130.5
[M]- 143.09519 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.