CID 137700466

2190487-94-4

Structural Information

Molecular Formula
C18H37NO
SMILES
CCC/C=C\CCCCCCCCCC[C@H]([C@H](C)N)O
InChI
InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h5-6,17-18,20H,3-4,7-16,19H2,1-2H3/b6-5-/t17-,18+/m0/s1
InChIKey
BPUUVXWJPCOCMG-FDICQLOXSA-N
Compound name
(Z,2S,3R)-2-aminooctadec-14-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.2875 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.29478 181.6
[M+Na]+ 306.27672 182.4
[M-H]- 282.28022 177.7
[M+NH4]+ 301.32132 196.2
[M+K]+ 322.25066 178.5
[M+H-H2O]+ 266.28476 174.8
[M+HCOO]- 328.28570 198.7
[M+CH3COO]- 342.30135 207.0
[M+Na-2H]- 304.26217 178.2
[M]+ 283.28695 182.9
[M]- 283.28805 182.9
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

patents stripe