CID 134542807

(2s)-2-aminohex-5-en-3-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
C[C@@H](C(CC=C)O)N
InChI
InChI=1S/C6H13NO/c1-3-4-6(8)5(2)7/h3,5-6,8H,1,4,7H2,2H3/t5-,6?/m0/s1
InChIKey
QFTLKTHCPBVHIC-ZBHICJROSA-N
Compound name
(2S)-2-aminohex-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 126.9
[M+Na]+ 138.08894 132.7
[M-H]- 114.09244 125.4
[M+NH4]+ 133.13354 148.3
[M+K]+ 154.06288 131.9
[M+H-H2O]+ 98.096980 122.4
[M+HCOO]- 160.09792 148.0
[M+CH3COO]- 174.11357 171.4
[M+Na-2H]- 136.07439 129.9
[M]+ 115.09917 123.8
[M]- 115.10027 123.8
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