CID 82075023

1-amino-3-(2,4-dimethylphenyl)propan-2-ol

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1=CC(=C(C=C1)CC(CN)O)C
InChI
InChI=1S/C11H17NO/c1-8-3-4-10(9(2)5-8)6-11(13)7-12/h3-5,11,13H,6-7,12H2,1-2H3
InChIKey
WOBVCFKKTFNUQG-UHFFFAOYSA-N
Compound name
1-amino-3-(2,4-dimethylphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.4
[M+Na]+ 202.12023 148.3
[M-H]- 178.12373 143.4
[M+NH4]+ 197.16483 160.7
[M+K]+ 218.09417 145.6
[M+H-H2O]+ 162.12827 135.8
[M+HCOO]- 224.12921 163.4
[M+CH3COO]- 238.14486 184.1
[M+Na-2H]- 200.10568 144.5
[M]+ 179.13046 139.9
[M]- 179.13156 139.9
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

No patent data available for this compound.