CID 165941412

2680662-11-5

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CN(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)N=O
InChI
InChI=1S/C16H24N2O3/c1-18(17-20)12-15(16(19)10-4-3-5-11-16)13-6-8-14(21-2)9-7-13/h6-9,15,19H,3-5,10-12H2,1-2H3
InChIKey
ZSUCJRRVTCFTNC-UHFFFAOYSA-N
Compound name
N-[2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 168.5
[M+Na]+ 315.16790 171.1
[M-H]- 291.17140 175.3
[M+NH4]+ 310.21250 185.1
[M+K]+ 331.14184 170.8
[M+H-H2O]+ 275.17594 160.4
[M+HCOO]- 337.17688 190.2
[M+CH3COO]- 351.19253 209.3
[M+Na-2H]- 313.15335 171.9
[M]+ 292.17813 167.5
[M]- 292.17923 167.5
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.