CID 28221

Isomylamine hydrochloride

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCN(CC)CCOC(=O)C1(CCCCC1)CCC(C)C
InChI
InChI=1S/C18H35NO2/c1-5-19(6-2)14-15-21-17(20)18(13-10-16(3)4)11-8-7-9-12-18/h16H,5-15H2,1-4H3
InChIKey
BHSHHNNBVMXJNZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-(3-methylbutyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

466
Patents

297.26678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 179.2
[M+Na]+ 320.25600 179.7
[M-H]- 296.25950 181.7
[M+NH4]+ 315.30060 196.3
[M+K]+ 336.22994 179.3
[M+H-H2O]+ 280.26404 172.4
[M+HCOO]- 342.26498 196.5
[M+CH3COO]- 356.28063 211.6
[M+Na-2H]- 318.24145 177.8
[M]+ 297.26623 179.7
[M]- 297.26733 179.7
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.