CID 134574777

4-cyclopropyl-2-methoxyaniline

Structural Information

Molecular Formula
C10H13NO
SMILES
COC1=C(C=CC(=C1)C2CC2)N
InChI
InChI=1S/C10H13NO/c1-12-10-6-8(7-2-3-7)4-5-9(10)11/h4-7H,2-3,11H2,1H3
InChIKey
YLSYZFSTUMKKFP-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

163.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 131.2
[M+Na]+ 186.088938 141.1
[M-H]- 162.092444 138.9
[M+NH4]+ 181.133543 147.1
[M+K]+ 202.062878 138.1
[M+H-H2O]+ 146.096980 124.9
[M+HCOO]- 208.097921 156.6
[M+CH3COO]- 222.113571 184.5
[M+Na-2H]- 184.074386 137.5
[M]+ 163.09917142 133.2
[M]- 163.10026858 133.2
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