CID 10442008

19009-68-8

Structural Information

Molecular Formula
C10H13NO
SMILES
COC1=CC=C(C=C1)[C@@H]2C[C@H]2N
InChI
InChI=1S/C10H13NO/c1-12-8-4-2-7(3-5-8)9-6-10(9)11/h2-5,9-10H,6,11H2,1H3/t9-,10+/m0/s1
InChIKey
SCLDJNREJBDLHE-VHSXEESVSA-N
Compound name
(1R,2S)-2-(4-methoxyphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

97
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 134.5
[M+Na]+ 186.08894 148.5
[M+NH4]+ 181.13354 144.3
[M+K]+ 202.06288 143.4
[M-H]- 162.09244 145.7
[M+Na-2H]- 184.07439 145.0
[M]+ 163.09917 140.7
[M]- 163.10027 140.7
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