CID 14504235

Methyl 2-aminohept-6-enoate

Structural Information

Molecular Formula
C8H15NO2
SMILES
COC(=O)C(CCCC=C)N
InChI
InChI=1S/C8H15NO2/c1-3-4-5-6-7(9)8(10)11-2/h3,7H,1,4-6,9H2,2H3
InChIKey
OXRDQNUTJYSPSW-UHFFFAOYSA-N
Compound name
methyl 2-aminohept-6-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.9
[M+Na]+ 180.099498 142.6
[M-H]- 156.103004 136.5
[M+NH4]+ 175.144103 157.3
[M+K]+ 196.073438 142.1
[M+H-H2O]+ 140.107540 131.7
[M+HCOO]- 202.108481 159.3
[M+CH3COO]- 216.124131 180.5
[M+Na-2H]- 178.084946 139.5
[M]+ 157.10973142 137.2
[M]- 157.11082858 137.2
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

No patent data available for this compound.