CID 34436

2-isopropoxyaniline

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)OC1=CC=CC=C1N
InChI
InChI=1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3
InChIKey
PZOZYLSYQJYXBI-UHFFFAOYSA-N
Compound name
2-propan-2-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

498
Patents

151.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.9
[M+Na]+ 174.088938 139.1
[M-H]- 150.092444 135.3
[M+NH4]+ 169.133543 152.8
[M+K]+ 190.062878 137.8
[M+H-H2O]+ 134.096980 126.2
[M+HCOO]- 196.097921 156.1
[M+CH3COO]- 210.113571 179.4
[M+Na-2H]- 172.074386 137.4
[M]+ 151.09917142 131.2
[M]- 151.10026858 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe