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]+ 186.068026 138.3
[M+Na]+ 208.049968 147.6
[M-H]- 184.053474 140.8
[M+NH4]+ 203.094573 158.5
[M+K]+ 224.023908 143.3
[M+H-H2O]+ 168.058010 134.5
[M+HCOO]- 230.058951 155.9
[M+CH3COO]- 244.074601 181.4
[M+Na-2H]- 206.035416 144.0
[M]+ 185.06020142 138.3
[M]- 185.06129858 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