CID 61650378

2-amino-1-(3,5-dimethylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=CC(=CC(=C1)C(CN)O)C
InChI
InChI=1S/C10H15NO/c1-7-3-8(2)5-9(4-7)10(12)6-11/h3-5,10,12H,6,11H2,1-2H3
InChIKey
ODOLMCVMBQOBPL-UHFFFAOYSA-N
Compound name
2-amino-1-(3,5-dimethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 136.7
[M+Na]+ 188.104588 144.1
[M-H]- 164.108094 139.0
[M+NH4]+ 183.149193 156.7
[M+K]+ 204.078528 141.7
[M+H-H2O]+ 148.112630 131.4
[M+HCOO]- 210.113571 159.1
[M+CH3COO]- 224.129221 181.1
[M+Na-2H]- 186.090036 140.4
[M]+ 165.11482142 134.9
[M]- 165.11591858 134.9
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

patents stripe