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 177.4
[M+Na]+ 364.20942 175.4
[M-H]- 340.21292 178.6
[M+NH4]+ 359.25402 188.3
[M+K]+ 380.18336 179.7
[M+H-H2O]+ 324.21746 171.2
[M+HCOO]- 386.21840 191.0
[M+CH3COO]- 400.23405 210.6
[M+Na-2H]- 362.19487 175.8
[M]+ 341.21965 173.2
[M]- 341.22075 173.2
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.