CID 82112

4-isopropoxyaniline

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)OC1=CC=C(C=C1)N
InChI
InChI=1S/C9H13NO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,10H2,1-2H3
InChIKey
MLNFMFAMNBGAQT-UHFFFAOYSA-N
Compound name
4-propan-2-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1426
Patents

151.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.9
[M+Na]+ 174.08894 139.1
[M-H]- 150.09244 135.3
[M+NH4]+ 169.13354 152.8
[M+K]+ 190.06288 137.8
[M+H-H2O]+ 134.09698 126.2
[M+HCOO]- 196.09792 156.1
[M+CH3COO]- 210.11357 179.4
[M+Na-2H]- 172.07439 137.4
[M]+ 151.09917 131.2
[M]- 151.10027 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