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]+ 162.12773 133.0
[M+Na]+ 184.10967 141.5
[M-H]- 160.11317 140.2
[M+NH4]+ 179.15427 150.3
[M+K]+ 200.08361 139.0
[M+H-H2O]+ 144.11771 127.2
[M+HCOO]- 206.11865 157.7
[M+CH3COO]- 220.13430 183.0
[M+Na-2H]- 182.09512 141.2
[M]+ 161.11990 133.5
[M]- 161.12100 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