CID 12960452

3,6-ditigloyloxytropan-7-ol

Structural Information

Molecular Formula
C18H27NO5
SMILES
C/C=C(\C)/C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)/C(=C/C)/C)O
InChI
InChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+
InChIKey
FRQMNJFBOJQRAQ-JMQWPVDRSA-N
Compound name
[6-hydroxy-8-methyl-7-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.196206 181.6
[M+Na]+ 360.178148 185.8
[M-H]- 336.181654 180.8
[M+NH4]+ 355.222753 196.9
[M+K]+ 376.152088 183.5
[M+H-H2O]+ 320.186190 176.5
[M+HCOO]- 382.187131 192.5
[M+CH3COO]- 396.202781 211.6
[M+Na-2H]- 358.163596 175.8
[M]+ 337.18838142 182.3
[M]- 337.18947858 182.3
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

No patent data available for this compound.