CID 22094668

Oxohexadecanol

Structural Information

Molecular Formula
C16H32O2
SMILES
C(CCCCCCCC=O)CCCCCCCO
InChI
InChI=1S/C16H32O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h15,18H,1-14,16H2
InChIKey
NPNZIZYGFQAUKD-UHFFFAOYSA-N
Compound name
16-hydroxyhexadecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

178
Patents

256.24023 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24751 169.4
[M+Na]+ 279.22945 172.3
[M-H]- 255.23295 166.4
[M+NH4]+ 274.27405 185.8
[M+K]+ 295.20339 168.9
[M+H-H2O]+ 239.23749 163.1
[M+HCOO]- 301.23843 189.1
[M+CH3COO]- 315.25408 197.8
[M+Na-2H]- 277.21490 170.7
[M]+ 256.23968 174.8
[M]- 256.24078 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe