CID 228821

2-amino-3-(2,4,6-trimethylphenyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1=CC(=C(C(=C1)C)CC(C(=O)O)N)C
InChI
InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)
InChIKey
CRNOZLNQYAUXRK-UHFFFAOYSA-N
Compound name
2-amino-3-(2,4,6-trimethylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

207.12593 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.4
[M+Na]+ 230.115148 154.8
[M-H]- 206.118654 149.7
[M+NH4]+ 225.159753 165.7
[M+K]+ 246.089088 152.4
[M+H-H2O]+ 190.123190 141.8
[M+HCOO]- 252.124131 168.5
[M+CH3COO]- 266.139781 190.6
[M+Na-2H]- 228.100596 148.1
[M]+ 207.12538142 146.8
[M]- 207.12647858 146.8
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