CID 15356347

Methyl 2-aminohex-5-enoate hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
COC(=O)C(CCC=C)N
InChI
InChI=1S/C7H13NO2/c1-3-4-5-6(8)7(9)10-2/h3,6H,1,4-5,8H2,2H3
InChIKey
PXKKJZHRWICJMF-UHFFFAOYSA-N
Compound name
methyl 2-aminohex-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

143.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 132.3
[M+Na]+ 166.083858 138.4
[M-H]- 142.087364 132.0
[M+NH4]+ 161.128463 153.2
[M+K]+ 182.057798 138.1
[M+H-H2O]+ 126.091900 127.3
[M+HCOO]- 188.092841 155.0
[M+CH3COO]- 202.108491 177.4
[M+Na-2H]- 164.069306 135.4
[M]+ 143.09409142 132.2
[M]- 143.09518858 132.2
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