CID 3056656

Brn 2728588

Structural Information

Molecular Formula
C15H23NO
SMILES
CC(CO)C1=CC=C(C=C1)C2CCCC(C2)N
InChI
InChI=1S/C15H23NO/c1-11(10-17)12-5-7-13(8-6-12)14-3-2-4-15(16)9-14/h5-8,11,14-15,17H,2-4,9-10,16H2,1H3
InChIKey
KHRUUWKYUQXZNE-UHFFFAOYSA-N
Compound name
2-[4-(3-aminocyclohexyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 156.9
[M+Na]+ 256.167178 160.3
[M-H]- 232.170684 160.7
[M+NH4]+ 251.211783 173.3
[M+K]+ 272.141118 156.5
[M+H-H2O]+ 216.175220 149.8
[M+HCOO]- 278.176161 174.7
[M+CH3COO]- 292.191811 193.0
[M+Na-2H]- 254.152626 157.6
[M]+ 233.17741142 150.0
[M]- 233.17850858 150.0
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.