CID 9727

N-methyltyramine

Structural Information

Molecular Formula
C9H13NO
SMILES
CNCCC1=CC=C(C=C1)O
InChI
InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
InChIKey
AXVZFRBSCNEKPQ-UHFFFAOYSA-N
Compound name
4-[2-(methylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

40
References

751
Patents

151.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.6
[M+Na]+ 174.08894 143.7
[M+NH4]+ 169.13354 140.5
[M+K]+ 190.06288 137.0
[M-H]- 150.09244 134.3
[M+Na-2H]- 172.07439 138.9
[M]+ 151.09917 134.0
[M]- 151.10027 134.0
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