CID 194549

1-phenyl-cyclopropylamine

Structural Information

Molecular Formula
C9H11N
SMILES
C1CC1(C2=CC=CC=C2)N
InChI
InChI=1S/C9H11N/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKey
OYRBDGKUVUVWRI-UHFFFAOYSA-N
Compound name
1-phenylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1504
Patents

133.08914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 124.6
[M+Na]+ 156.078358 134.0
[M-H]- 132.081864 132.2
[M+NH4]+ 151.122963 143.0
[M+K]+ 172.052298 132.0
[M+H-H2O]+ 116.086400 119.2
[M+HCOO]- 178.087341 150.0
[M+CH3COO]- 192.102991 177.2
[M+Na-2H]- 154.063806 133.8
[M]+ 133.08859142 124.5
[M]- 133.08968858 124.5
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

patents stripe