CID 22649581

2-cyclopropyl-1-phenylethan-1-amine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC1CC(C2=CC=CC=C2)N
InChI
InChI=1S/C11H15N/c12-11(8-9-6-7-9)10-4-2-1-3-5-10/h1-5,9,11H,6-8,12H2
InChIKey
CZNFPPQWCGEPGX-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

161.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 131.5
[M+Na]+ 184.109668 139.0
[M-H]- 160.113174 138.4
[M+NH4]+ 179.154273 146.9
[M+K]+ 200.083608 136.0
[M+H-H2O]+ 144.117710 124.9
[M+HCOO]- 206.118651 155.7
[M+CH3COO]- 220.134301 184.2
[M+Na-2H]- 182.095116 137.8
[M]+ 161.11990142 131.1
[M]- 161.12099858 131.1
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