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

15
Patents

115.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 126.3
[M+Na]+ 138.08894 132.3
[M-H]- 114.09244 124.7
[M+NH4]+ 133.13354 147.8
[M+K]+ 154.06288 131.1
[M+H-H2O]+ 98.096980 121.8
[M+HCOO]- 160.09792 148.4
[M+CH3COO]- 174.11357 170.5
[M+Na-2H]- 136.07439 130.7
[M]+ 115.09917 123.9
[M]- 115.10027 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