CID 12420872

3-amino-2-benzylpropan-1-ol

Structural Information

Molecular Formula
C10H15NO
SMILES
C1=CC=C(C=C1)CC(CN)CO
InChI
InChI=1S/C10H15NO/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2
InChIKey
UZMQSDJABBJHCS-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

165.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 137.0
[M+Na]+ 188.10459 147.9
[M+NH4]+ 183.14919 145.4
[M+K]+ 204.07853 141.8
[M-H]- 164.10809 139.3
[M+Na-2H]- 186.09004 143.3
[M]+ 165.11482 139.0
[M]- 165.11592 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe