CID 91663001

1807937-65-0

Structural Information

Molecular Formula
C12H18ClNO
SMILES
C[C@H](CNC(C)CC1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C12H18ClNO/c1-9(14-8-10(2)15)7-11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3/t9?,10-/m1/s1
InChIKey
WTMYRZFEAKUNDJ-QVDQXJPCSA-N
Compound name
(2R)-1-[1-(4-chlorophenyl)propan-2-ylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11498 152.1
[M+Na]+ 250.09692 158.1
[M-H]- 226.10042 153.9
[M+NH4]+ 245.14152 170.2
[M+K]+ 266.07086 153.9
[M+H-H2O]+ 210.10496 146.9
[M+HCOO]- 272.10590 168.9
[M+CH3COO]- 286.12155 191.3
[M+Na-2H]- 248.08237 154.8
[M]+ 227.10715 153.1
[M]- 227.10825 153.1
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

No patent data available for this compound.