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

34
Patents

271.2875 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.29478 177.3
[M+Na]+ 294.27672 178.4
[M-H]- 270.28022 173.5
[M+NH4]+ 289.32132 192.5
[M+K]+ 310.25066 174.9
[M+H-H2O]+ 254.28476 170.5
[M+HCOO]- 316.28570 195.6
[M+CH3COO]- 330.30135 204.7
[M+Na-2H]- 292.26217 175.8
[M]+ 271.28695 179.8
[M]- 271.28805 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

literature stripe

Patent stripe

patents stripe