CID 10820735

3-amino-2,4,6-trimethylphenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=CC(=C(C(=C1N)C)O)C
InChI
InChI=1S/C9H13NO/c1-5-4-6(2)9(11)7(3)8(5)10/h4,11H,10H2,1-3H3
InChIKey
VYWOSJTZLKAVMN-UHFFFAOYSA-N
Compound name
3-amino-2,4,6-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

151.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.0
[M+Na]+ 174.08894 143.9
[M+NH4]+ 169.13354 139.7
[M+K]+ 190.06288 138.1
[M-H]- 150.09244 133.7
[M+Na-2H]- 172.07439 137.1
[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

No literature data available for this compound.

Patent stripe

patents stripe