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]+ 234.18524 156.9
[M+Na]+ 256.16718 160.3
[M-H]- 232.17068 160.7
[M+NH4]+ 251.21178 173.3
[M+K]+ 272.14112 156.5
[M+H-H2O]+ 216.17522 149.8
[M+HCOO]- 278.17616 174.7
[M+CH3COO]- 292.19181 193.0
[M+Na-2H]- 254.15263 157.6
[M]+ 233.17741 150.0
[M]- 233.17851 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.