CID 131033376

1379445-19-8

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)[C@H](CCC#C)N
InChI
InChI=1S/C7H11NO2/c1-3-4-5-6(8)7(9)10-2/h1,6H,4-5,8H2,2H3/t6-/m0/s1
InChIKey
CKXQBVBKCXXYRU-LURJTMIESA-N
Compound name
methyl (2S)-2-aminohex-5-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.07898 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 131.0
[M+Na]+ 164.068198 139.2
[M-H]- 140.071704 130.3
[M+NH4]+ 159.112803 149.7
[M+K]+ 180.042138 138.5
[M+H-H2O]+ 124.076240 120.2
[M+HCOO]- 186.077181 148.1
[M+CH3COO]- 200.092831 185.3
[M+Na-2H]- 162.053646 133.7
[M]+ 141.07843142 125.7
[M]- 141.07952858 125.7
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