CID 16005121

6-aminohexa-2,4-diyn-1-ol hydrochloride

Structural Information

Molecular Formula
C6H7NO
SMILES
C(C#CC#CCO)N
InChI
InChI=1S/C6H7NO/c7-5-3-1-2-4-6-8/h8H,5-7H2
InChIKey
KFTBLRQXKSJWRQ-UHFFFAOYSA-N
Compound name
6-aminohexa-2,4-diyn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

109.052765 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 138.1
[M+Na]+ 132.04198 147.4
[M-H]- 108.04549 138.0
[M+NH4]+ 127.08659 152.4
[M+K]+ 148.01592 144.8
[M+H-H2O]+ 92.050025 125.3
[M+HCOO]- 154.05097 147.9
[M+CH3COO]- 168.06662 198.1
[M+Na-2H]- 130.02743 140.5
[M]+ 109.05222 128.3
[M]- 109.05331 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe