CID 22187

2-amino-1-phenylbutan-1-ol

Structural Information

Molecular Formula
C10H15NO
SMILES
CCC(C(C1=CC=CC=C1)O)N
InChI
InChI=1S/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3
InChIKey
UOZNVPFVNBRISY-UHFFFAOYSA-N
Compound name
2-amino-1-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

165.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 138.0
[M+Na]+ 188.10459 143.1
[M-H]- 164.10809 139.5
[M+NH4]+ 183.14919 157.1
[M+K]+ 204.07853 141.1
[M+H-H2O]+ 148.11263 132.1
[M+HCOO]- 210.11357 159.3
[M+CH3COO]- 224.12922 179.6
[M+Na-2H]- 186.09004 141.8
[M]+ 165.11482 134.7
[M]- 165.11592 134.7
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