CID 12797

Cyclopropylamine, 2-phenoxy-, trans-

Structural Information

Molecular Formula
C9H11NO
SMILES
C1[C@@H]([C@H]1OC2=CC=CC=C2)N
InChI
InChI=1S/C9H11NO/c10-8-6-9(8)11-7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9-/m0/s1
InChIKey
LWTVCQHYQVDFLN-IUCAKERBSA-N
Compound name
trans-(1S,2S)-2-phenoxycyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

149.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 127.0
[M+Na]+ 172.073278 136.5
[M-H]- 148.076784 134.5
[M+NH4]+ 167.117883 143.1
[M+K]+ 188.047218 133.8
[M+H-H2O]+ 132.081320 120.7
[M+HCOO]- 194.082261 152.8
[M+CH3COO]- 208.097911 180.6
[M+Na-2H]- 170.058726 134.6
[M]+ 149.08351142 128.3
[M]- 149.08460858 128.3
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

No patent data available for this compound.