CID 3048993

2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol

Structural Information

Molecular Formula
C10H14ClNO
SMILES
CC(CC1=CC=C(C=C1)Cl)(CO)N
InChI
InChI=1S/C10H14ClNO/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3
InChIKey
GURNLHOWJJMNAR-UHFFFAOYSA-N
Compound name
2-amino-3-(4-chlorophenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.083666 143.3
[M+Na]+ 222.065608 151.1
[M-H]- 198.069114 145.1
[M+NH4]+ 217.110213 162.5
[M+K]+ 238.039548 146.5
[M+H-H2O]+ 182.073650 138.9
[M+HCOO]- 244.074591 160.5
[M+CH3COO]- 258.090241 183.2
[M+Na-2H]- 220.051056 149.1
[M]+ 199.07584142 143.2
[M]- 199.07693858 143.2
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.