CID 70678793

1-deoxymethylsphinganine(1+)

Structural Information

Molecular Formula
C17H37NO
SMILES
CCCCCCCCCCCCCCC[C@H](CN)O
InChI
InChI=1S/C17H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18/h17,19H,2-16,18H2,1H3/t17-/m1/s1
InChIKey
UGVBFHUWZNNKIK-QGZVFWFLSA-N
Compound name
(2R)-1-aminoheptadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

271.2875 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.294776 177.3
[M+Na]+ 294.276718 178.4
[M-H]- 270.280224 173.5
[M+NH4]+ 289.321323 192.5
[M+K]+ 310.250658 174.9
[M+H-H2O]+ 254.284760 170.5
[M+HCOO]- 316.285701 195.6
[M+CH3COO]- 330.301351 204.7
[M+Na-2H]- 292.262166 175.8
[M]+ 271.28695142 179.8
[M]- 271.28804858 179.8
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.