CID 154824843

39423-51-3

Structural Information

Molecular Formula
C17H37NO3
SMILES
CCC(COCC(C)C)(COCC(C)C)COCC(C)N
InChI
InChI=1S/C17H37NO3/c1-7-17(11-19-8-14(2)3,12-20-9-15(4)5)13-21-10-16(6)18/h14-16H,7-13,18H2,1-6H3
InChIKey
SRYMBUMLIMKZJO-UHFFFAOYSA-N
Compound name
1-[2,2-bis(2-methylpropoxymethyl)butoxy]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

303.27734 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.284616 183.3
[M+Na]+ 326.266558 184.8
[M-H]- 302.270064 181.4
[M+NH4]+ 321.311163 197.9
[M+K]+ 342.240498 184.7
[M+H-H2O]+ 286.274600 176.9
[M+HCOO]- 348.275541 200.1
[M+CH3COO]- 362.291191 213.2
[M+Na-2H]- 324.252006 180.8
[M]+ 303.27679142 188.8
[M]- 303.27788858 188.8
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.