CID 5361049

6873-77-4

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCC(CC)C(/C(=N\O)/C(CC)CCCC)O
InChI
InChI=1S/C16H33NO2/c1-5-9-11-13(7-3)15(17-19)16(18)14(8-4)12-10-6-2/h13-14,16,18-19H,5-12H2,1-4H3/b17-15-
InChIKey
SLCANKHLTWZHRV-ICFOKQHNSA-N
Compound name
(7Z)-5,8-diethyl-7-hydroxyiminododecan-6-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

322
Patents

271.25113 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.258406 176.2
[M+Na]+ 294.240348 177.4
[M-H]- 270.243854 173.4
[M+NH4]+ 289.284953 191.4
[M+K]+ 310.214288 175.9
[M+H-H2O]+ 254.248390 169.8
[M+HCOO]- 316.249331 192.9
[M+CH3COO]- 330.264981 205.3
[M+Na-2H]- 292.225796 172.4
[M]+ 271.25058142 177.9
[M]- 271.25167858 177.9
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