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

474
Patents

297.26678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.274056 179.2
[M+Na]+ 320.255998 179.7
[M-H]- 296.259504 181.7
[M+NH4]+ 315.300603 196.3
[M+K]+ 336.229938 179.3
[M+H-H2O]+ 280.264040 172.4
[M+HCOO]- 342.264981 196.5
[M+CH3COO]- 356.280631 211.6
[M+Na-2H]- 318.241446 177.8
[M]+ 297.26623142 179.7
[M]- 297.26732858 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.