CID 64574353

2-aminohex-4-yn-1-ol

Structural Information

Molecular Formula
C6H11NO
SMILES
CC#CCC(CO)N
InChI
InChI=1S/C6H11NO/c1-2-3-4-6(7)5-8/h6,8H,4-5,7H2,1H3
InChIKey
SCELGGPWOLAFFS-UHFFFAOYSA-N
Compound name
2-aminohex-4-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 125.5
[M+Na]+ 136.073278 133.7
[M-H]- 112.076784 123.6
[M+NH4]+ 131.117883 144.8
[M+K]+ 152.047218 132.2
[M+H-H2O]+ 96.081320 115.2
[M+HCOO]- 158.082261 142.0
[M+CH3COO]- 172.097911 178.5
[M+Na-2H]- 134.058726 129.4
[M]+ 113.08351142 118.1
[M]- 113.08460858 118.1
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