CID 138873

2-benzylamino-propan-1-ol

Structural Information

Molecular Formula
C10H15NO
SMILES
CC(CO)NCC1=CC=CC=C1
InChI
InChI=1S/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey
PJXWCRXOPLGFLX-UHFFFAOYSA-N
Compound name
2-(benzylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

510
Patents

165.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 137.0
[M+Na]+ 188.10459 148.1
[M+NH4]+ 183.14919 145.5
[M+K]+ 204.07853 141.8
[M-H]- 164.10809 139.4
[M+Na-2H]- 186.09004 143.7
[M]+ 165.11482 139.1
[M]- 165.11592 139.1
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