CID 22677785

1-amino-5-phenylpentan-3-ol

Structural Information

Molecular Formula
C11H17NO
SMILES
C1=CC=C(C=C1)CCC(CCN)O
InChI
InChI=1S/C11H17NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2
InChIKey
MQRVXBDFCCKLST-UHFFFAOYSA-N
Compound name
1-amino-5-phenylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

179.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 142.0
[M+Na]+ 202.12023 146.9
[M-H]- 178.12373 143.2
[M+NH4]+ 197.16483 160.6
[M+K]+ 218.09417 144.1
[M+H-H2O]+ 162.12827 135.8
[M+HCOO]- 224.12921 164.0
[M+CH3COO]- 238.14486 181.8
[M+Na-2H]- 200.10568 146.5
[M]+ 179.13046 139.7
[M]- 179.13156 139.7
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

patents stripe