CID 573220

3-(propan-2-yloxy)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1242
Patents

151.09972 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe