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]+ 242.130616 156.5
[M+Na]+ 264.112558 162.8
[M-H]- 240.116064 158.4
[M+NH4]+ 259.157163 174.2
[M+K]+ 280.086498 158.3
[M+H-H2O]+ 224.120600 151.6
[M+HCOO]- 286.121541 172.4
[M+CH3COO]- 300.137191 193.8
[M+Na-2H]- 262.098006 160.6
[M]+ 241.12279142 158.0
[M]- 241.12388858 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.