CID 22463672

2-(aminomethyl)-4,6-dimethylphenolhydrochloride

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=CC(=C(C(=C1)CN)O)C
InChI
InChI=1S/C9H13NO/c1-6-3-7(2)9(11)8(4-6)5-10/h3-4,11H,5,10H2,1-2H3
InChIKey
KJTSIUBJVRETHI-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

151.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.1
[M+Na]+ 174.08894 143.7
[M+NH4]+ 169.13354 139.8
[M+K]+ 190.06288 137.7
[M-H]- 150.09244 133.8
[M+Na-2H]- 172.07439 137.5
[M]+ 151.09917 133.6
[M]- 151.10027 133.6
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

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