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

11
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 130.8
[M+Na]+ 174.08894 140.8
[M-H]- 150.09244 134.0
[M+NH4]+ 169.13354 152.1
[M+K]+ 190.06288 138.2
[M+H-H2O]+ 134.09698 126.2
[M+HCOO]- 196.09792 154.5
[M+CH3COO]- 210.11357 179.6
[M+Na-2H]- 172.07439 135.0
[M]+ 151.09917 130.1
[M]- 151.10027 130.1
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