CID 17813993

1-aminohex-5-en-2-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
C=CCCC(CN)O
InChI
InChI=1S/C6H13NO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5,7H2
InChIKey
OKUFACNXCOEMNH-UHFFFAOYSA-N
Compound name
1-aminohex-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 126.3
[M+Na]+ 138.088938 132.3
[M-H]- 114.092444 124.7
[M+NH4]+ 133.133543 147.8
[M+K]+ 154.062878 131.1
[M+H-H2O]+ 98.096980 121.8
[M+HCOO]- 160.097921 148.4
[M+CH3COO]- 174.113571 170.5
[M+Na-2H]- 136.074386 130.7
[M]+ 115.09917142 123.9
[M]- 115.10026858 123.9
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

patents stripe