CID 12797

Trans-2-phenoxycyclopropylamine

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
(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]+ 150.09134 127.0
[M+Na]+ 172.07328 136.5
[M-H]- 148.07678 134.5
[M+NH4]+ 167.11788 143.1
[M+K]+ 188.04722 133.8
[M+H-H2O]+ 132.08132 120.7
[M+HCOO]- 194.08226 152.8
[M+CH3COO]- 208.09791 180.6
[M+Na-2H]- 170.05873 134.6
[M]+ 149.08351 128.3
[M]- 149.08461 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.