CID 11815413

Benzyl(methoxy)amine

Structural Information

Molecular Formula
C8H11NO
SMILES
CONCC1=CC=CC=C1
InChI
InChI=1S/C8H11NO/c1-10-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey
QWLISCJHYITNQF-UHFFFAOYSA-N
Compound name
N-methoxy-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1712
Patents

137.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.3
[M+Na]+ 160.073278 133.3
[M-H]- 136.076784 130.0
[M+NH4]+ 155.117883 147.8
[M+K]+ 176.047218 132.1
[M+H-H2O]+ 120.081320 120.5
[M+HCOO]- 182.082261 152.5
[M+CH3COO]- 196.097911 175.1
[M+Na-2H]- 158.058726 135.5
[M]+ 137.08351142 126.6
[M]- 137.08460858 126.6
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