CID 10059639

Halaminol a

Structural Information

Molecular Formula
C14H29NO
SMILES
C[C@@H]([C@@H](CCCCCCCCCC=C)O)N
InChI
InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,13-14,16H,1,4-12,15H2,2H3/t13-,14+/m0/s1
InChIKey
KLWPMNOQFSPVII-UONOGXRCSA-N
Compound name
(2S,3R)-2-aminotetradec-13-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.22491 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.23219 163.4
[M+Na]+ 250.21413 165.9
[M-H]- 226.21763 160.4
[M+NH4]+ 245.25873 180.3
[M+K]+ 266.18807 163.0
[M+H-H2O]+ 210.22217 157.4
[M+HCOO]- 272.22311 181.9
[M+CH3COO]- 286.23876 195.6
[M+Na-2H]- 248.19958 162.2
[M]+ 227.22436 163.3
[M]- 227.22546 163.3
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

No patent data available for this compound.