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]+ 114.09134 125.2
[M+Na]+ 136.07328 133.3
[M-H]- 112.07678 123.2
[M+NH4]+ 131.11788 144.3
[M+K]+ 152.04722 131.8
[M+H-H2O]+ 96.081320 114.8
[M+HCOO]- 158.08226 141.7
[M+CH3COO]- 172.09791 179.1
[M+Na-2H]- 134.05873 129.0
[M]+ 113.08351 117.9
[M]- 113.08461 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.