CID 39236755

1820580-55-9

Structural Information

Molecular Formula
C11H15NO
SMILES
CCOC1=CC=C(C=C1)[C@@H]2C[C@H]2N
InChI
InChI=1S/C11H15NO/c1-2-13-9-5-3-8(4-6-9)10-7-11(10)12/h3-6,10-11H,2,7,12H2,1H3/t10-,11+/m0/s1
InChIKey
HUSKAVYEEJPUJN-WDEREUQCSA-N
Compound name
(1R,2S)-2-(4-ethoxyphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

177.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.4
[M+Na]+ 200.10459 145.0
[M-H]- 176.10809 143.0
[M+NH4]+ 195.14919 150.8
[M+K]+ 216.07853 141.7
[M+H-H2O]+ 160.11263 129.0
[M+HCOO]- 222.11357 160.6
[M+CH3COO]- 236.12922 187.4
[M+Na-2H]- 198.09004 141.3
[M]+ 177.11482 137.8
[M]- 177.11592 137.8
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