CID 67572428

2-(2-aminopropan-2-yl)-5-chlorophenol

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC(C)(C1=C(C=C(C=C1)Cl)O)N
InChI
InChI=1S/C9H12ClNO/c1-9(2,11)7-4-3-6(10)5-8(7)12/h3-5,12H,11H2,1-2H3
InChIKey
AMJBJWGODYJJJZ-UHFFFAOYSA-N
Compound name
2-(2-aminopropan-2-yl)-5-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.06075 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 138.3
[M+Na]+ 208.04997 147.6
[M-H]- 184.05347 140.8
[M+NH4]+ 203.09457 158.5
[M+K]+ 224.02391 143.3
[M+H-H2O]+ 168.05801 134.5
[M+HCOO]- 230.05895 155.9
[M+CH3COO]- 244.07460 181.4
[M+Na-2H]- 206.03542 144.0
[M]+ 185.06020 138.3
[M]- 185.06130 138.3
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