CID 3056657

Brn 2730911

Structural Information

Molecular Formula
C16H25NO
SMILES
CC(CO)C1=CC=C(C=C1)C2CCCC(C2)NC
InChI
InChI=1S/C16H25NO/c1-12(11-18)13-6-8-14(9-7-13)15-4-3-5-16(10-15)17-2/h6-9,12,15-18H,3-5,10-11H2,1-2H3
InChIKey
WCXJGSLEWKEZHQ-UHFFFAOYSA-N
Compound name
2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 160.7
[M+Na]+ 270.18284 163.6
[M-H]- 246.18634 164.9
[M+NH4]+ 265.22744 176.8
[M+K]+ 286.15678 160.0
[M+H-H2O]+ 230.19088 153.4
[M+HCOO]- 292.19182 178.8
[M+CH3COO]- 306.20747 196.6
[M+Na-2H]- 268.16829 162.0
[M]+ 247.19307 155.2
[M]- 247.19417 155.2
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.