CID 18987871

2-hydroxyhexadecanal

Structural Information

Molecular Formula
C16H32O2
SMILES
CCCCCCCCCCCCCCC(C=O)O
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3
InChIKey
BKBDVQVDRVGXKT-UHFFFAOYSA-N
Compound name
2-hydroxyhexadecanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

142
Patents

256.24023 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24751 170.4
[M+Na]+ 279.22945 173.1
[M-H]- 255.23295 167.4
[M+NH4]+ 274.27405 186.8
[M+K]+ 295.20339 170.1
[M+H-H2O]+ 239.23749 164.2
[M+HCOO]- 301.23843 189.0
[M+CH3COO]- 315.25408 198.5
[M+Na-2H]- 277.21490 170.3
[M]+ 256.23968 175.1
[M]- 256.24078 175.1
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