CID 138987328

2227875-43-4

Structural Information

Molecular Formula
C10H12FNO
SMILES
COC1=C(C=CC(=C1)[C@@H]2C[C@H]2N)F
InChI
InChI=1S/C10H12FNO/c1-13-10-4-6(2-3-8(10)11)7-5-9(7)12/h2-4,7,9H,5,12H2,1H3/t7-,9+/m0/s1
InChIKey
NQNDTDWDLXXUOZ-IONNQARKSA-N
Compound name
(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09029 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 132.4
[M+Na]+ 204.07951 143.1
[M-H]- 180.08301 139.0
[M+NH4]+ 199.12411 147.7
[M+K]+ 220.05345 139.5
[M+H-H2O]+ 164.08755 125.3
[M+HCOO]- 226.08849 156.7
[M+CH3COO]- 240.10414 188.2
[M+Na-2H]- 202.06496 137.5
[M]+ 181.08974 133.7
[M]- 181.09084 133.7
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

No patent data available for this compound.