CID 137942426

Rac-(1r,2r)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)C[C@]1(C[C@@H]1C2=CC=CC=C2)N
InChI
InChI=1S/C13H19N/c1-10(2)8-13(14)9-12(13)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3/t12-,13-/m1/s1
InChIKey
LGXJMNAMWSFAQV-CHWSQXEVSA-N
Compound name
trans-(1R,2R)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 140.6
[M+Na]+ 212.140968 148.9
[M-H]- 188.144474 147.9
[M+NH4]+ 207.185573 157.1
[M+K]+ 228.114908 146.3
[M+H-H2O]+ 172.149010 135.0
[M+HCOO]- 234.149951 163.7
[M+CH3COO]- 248.165601 190.6
[M+Na-2H]- 210.126416 146.0
[M]+ 189.15120142 141.7
[M]- 189.15229858 141.7
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

No patent data available for this compound.