CID 101101128

Akos040735027

Structural Information

Molecular Formula
C16H33NO
SMILES
CCCC/C=C\CCCCCCC[C@H]([C@H](C)N)O
InChI
InChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h6-7,15-16,18H,3-5,8-14,17H2,1-2H3/b7-6-/t15-,16+/m0/s1
InChIKey
QNWQYXJJIAXWKD-SHUKXNKTSA-N
Compound name
(Z,2S,3R)-2-aminohexadec-11-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.25621 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.26349 172.7
[M+Na]+ 278.24543 174.3
[M-H]- 254.24893 169.2
[M+NH4]+ 273.29003 188.5
[M+K]+ 294.21937 171.0
[M+H-H2O]+ 238.25347 166.3
[M+HCOO]- 300.25441 190.5
[M+CH3COO]- 314.27006 201.0
[M+Na-2H]- 276.23088 170.3
[M]+ 255.25566 173.3
[M]- 255.25676 173.3
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.