CID 79127816

Dtxsid801365904

Structural Information

Molecular Formula
C18H35NO
SMILES
CCC(C)(C)C1CCC(CC1)(C2(CCCCC2)CN)O
InChI
InChI=1S/C18H35NO/c1-4-16(2,3)15-8-12-18(20,13-9-15)17(14-19)10-6-5-7-11-17/h15,20H,4-14,19H2,1-3H3
InChIKey
BXICORWSBKRPJH-UHFFFAOYSA-N
Compound name
1-[1-(aminomethyl)cyclohexyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.27185 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.279126 173.5
[M+Na]+ 304.261068 174.4
[M-H]- 280.264574 176.1
[M+NH4]+ 299.305673 191.7
[M+K]+ 320.235008 171.2
[M+H-H2O]+ 264.269110 167.9
[M+HCOO]- 326.270051 185.3
[M+CH3COO]- 340.285701 200.8
[M+Na-2H]- 302.246516 174.8
[M]+ 281.27130142 164.0
[M]- 281.27239858 164.0
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.