CID 78448

3-(benzylamino)propanol

Structural Information

Molecular Formula
C10H15NO
SMILES
C1=CC=C(C=C1)CNCCCO
InChI
InChI=1S/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChIKey
ZQJXSIOFSZYGMH-UHFFFAOYSA-N
Compound name
3-(benzylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

418
Patents

165.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 136.0
[M+Na]+ 188.104588 141.7
[M-H]- 164.108094 137.8
[M+NH4]+ 183.149193 155.6
[M+K]+ 204.078528 139.0
[M+H-H2O]+ 148.112630 130.0
[M+HCOO]- 210.113571 160.0
[M+CH3COO]- 224.129221 178.6
[M+Na-2H]- 186.090036 143.5
[M]+ 165.11482142 135.1
[M]- 165.11591858 135.1
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