CID 89107675

3-cyclopropyl-5-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 131.2
[M+Na]+ 186.08894 141.1
[M-H]- 162.09244 138.9
[M+NH4]+ 181.13354 147.1
[M+K]+ 202.06288 138.1
[M+H-H2O]+ 146.09698 124.9
[M+HCOO]- 208.09792 156.6
[M+CH3COO]- 222.11357 184.5
[M+Na-2H]- 184.07439 137.5
[M]+ 163.09917 133.2
[M]- 163.10027 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