CID 2733955

72l66t594h

Structural Information

Molecular Formula
C15H29NO7
SMILES
CCCCCCCNC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O
InChI
InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12+,13-,14+/m1/s1
InChIKey
XPIVOYOQXKNYHA-RGDJUOJXSA-N
Compound name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl N-heptylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1535
Patents

335.1944 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20168 179.5
[M+Na]+ 358.18362 182.2
[M-H]- 334.18712 178.6
[M+NH4]+ 353.22822 189.9
[M+K]+ 374.15756 181.9
[M+H-H2O]+ 318.19166 172.6
[M+HCOO]- 380.19260 193.8
[M+CH3COO]- 394.20825 207.2
[M+Na-2H]- 356.16907 178.1
[M]+ 335.19385 181.8
[M]- 335.19495 181.8
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