CID 6447185

1-tert-butylamino-3-cycloheptyloxy-2-propanol maleate

Structural Information

Molecular Formula
C18H31NO5
SMILES
CC(C)(C)NCC(COC1CCCCCC1)OC(=O)/C=C/C(=O)O
InChI
InChI=1S/C18H31NO5/c1-18(2,3)19-12-15(24-17(22)11-10-16(20)21)13-23-14-8-6-4-5-7-9-14/h10-11,14-15,19H,4-9,12-13H2,1-3H3,(H,20,21)/b11-10+
InChIKey
VPIHSQNLGWCUGW-ZHACJKMWSA-N
Compound name
(E)-4-[1-(tert-butylamino)-3-cycloheptyloxypropan-2-yl]oxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2202 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.22748 179.4
[M+Na]+ 364.20942 181.8
[M+NH4]+ 359.25402 182.2
[M+K]+ 380.18336 180.8
[M-H]- 340.21292 176.8
[M+Na-2H]- 362.19487 178.8
[M]+ 341.21965 178.3
[M]- 341.22075 178.3
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.