CID 101101129

Obscuraminol f

Structural Information

Molecular Formula
C16H33NO
SMILES
C[C@@H]([C@@H](CCCCCCCCCCCC=C)O)N
InChI
InChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,15-16,18H,1,4-14,17H2,2H3/t15-,16+/m0/s1
InChIKey
BBZHHOGHQKXCRQ-JKSUJKDBSA-N
Compound name
(2S,3R)-2-aminohexadec-15-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.25621 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.26349 172.4
[M+Na]+ 278.24543 174.0
[M-H]- 254.24893 168.9
[M+NH4]+ 273.29003 188.1
[M+K]+ 294.21937 170.6
[M+H-H2O]+ 238.25347 166.0
[M+HCOO]- 300.25441 190.2
[M+CH3COO]- 314.27006 201.6
[M+Na-2H]- 276.23088 170.1
[M]+ 255.25566 173.1
[M]- 255.25676 173.1
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

No patent data available for this compound.