CID 82074717

2-(1-phenylcyclopropyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC1(CCN)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c12-9-8-11(6-7-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKey
JOJBLWZUHONAFV-UHFFFAOYSA-N
Compound name
2-(1-phenylcyclopropyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 133.0
[M+Na]+ 184.109668 141.5
[M-H]- 160.113174 140.2
[M+NH4]+ 179.154273 150.3
[M+K]+ 200.083608 139.0
[M+H-H2O]+ 144.117710 127.2
[M+HCOO]- 206.118651 157.7
[M+CH3COO]- 220.134301 183.0
[M+Na-2H]- 182.095116 141.2
[M]+ 161.11990142 133.5
[M]- 161.12099858 133.5
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