CID 65986080

1-aminohex-5-yn-2-ol

Structural Information

Molecular Formula
C6H11NO
SMILES
C#CCCC(CN)O
InChI
InChI=1S/C6H11NO/c1-2-3-4-6(8)5-7/h1,6,8H,3-5,7H2
InChIKey
JUUPISMKQGJUEL-UHFFFAOYSA-N
Compound name
1-aminohex-5-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 125.2
[M+Na]+ 136.073278 133.3
[M-H]- 112.076784 123.2
[M+NH4]+ 131.117883 144.3
[M+K]+ 152.047218 131.8
[M+H-H2O]+ 96.081320 114.8
[M+HCOO]- 158.082261 141.7
[M+CH3COO]- 172.097911 179.1
[M+Na-2H]- 134.058726 129.0
[M]+ 113.08351142 117.9
[M]- 113.08460858 117.9
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.