CID 89514

Brn 2727903

Structural Information

Molecular Formula
C13H20ClNO
SMILES
CC(CNC(C)(C)CC1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C13H20ClNO/c1-10(16)9-15-13(2,3)8-11-4-6-12(14)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3
InChIKey
DUJCNGWLFREXBE-UHFFFAOYSA-N
Compound name
1-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.12334 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13062 156.5
[M+Na]+ 264.11256 162.8
[M-H]- 240.11606 158.4
[M+NH4]+ 259.15716 174.2
[M+K]+ 280.08650 158.3
[M+H-H2O]+ 224.12060 151.6
[M+HCOO]- 286.12154 172.4
[M+CH3COO]- 300.13719 193.8
[M+Na-2H]- 262.09801 160.6
[M]+ 241.12279 158.0
[M]- 241.12389 158.0
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.