CID 53646038

1142815-95-9

Structural Information

Molecular Formula
C11H15NO
SMILES
COC1=CC=CC(=C1)[C@@H]2C[C@H]2CN
InChI
InChI=1S/C11H15NO/c1-13-10-4-2-3-8(5-10)11-6-9(11)7-12/h2-5,9,11H,6-7,12H2,1H3/t9-,11-/m0/s1
InChIKey
AJKHCYJJCNCJBK-ONGXEEELSA-N
Compound name
[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

177.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.4
[M+Na]+ 200.10459 152.3
[M+NH4]+ 195.14919 148.1
[M+K]+ 216.07853 146.9
[M-H]- 176.10809 149.5
[M+Na-2H]- 198.09004 148.6
[M]+ 177.11482 144.6
[M]- 177.11592 144.6
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