CID 2396989

N-benzyl-2-methoxyethanamine

Structural Information

Molecular Formula
C10H15NO
SMILES
COCCNCC1=CC=CC=C1
InChI
InChI=1S/C10H15NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
BHKFRWOEIYJBLN-UHFFFAOYSA-N
Compound name
N-benzyl-2-methoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

214
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 136.2
[M+Na]+ 188.10459 148.3
[M+NH4]+ 183.14919 145.2
[M+K]+ 204.07853 140.8
[M-H]- 164.10809 139.4
[M+Na-2H]- 186.09004 144.0
[M]+ 165.11482 138.8
[M]- 165.11592 138.8
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