CID 94558042

2138519-03-4

Structural Information

Molecular Formula
C11H15N
SMILES
C1[C@H]([C@@H]1CN)CC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c12-8-11-7-10(11)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2/t10-,11+/m1/s1
InChIKey
JSQJWNFJQOUANU-MNOVXSKESA-N
Compound name
[(1R,2S)-2-benzylcyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 131.5
[M+Na]+ 184.109668 140.2
[M-H]- 160.113174 138.7
[M+NH4]+ 179.154273 147.3
[M+K]+ 200.083608 136.7
[M+H-H2O]+ 144.117710 125.0
[M+HCOO]- 206.118651 156.6
[M+CH3COO]- 220.134301 184.4
[M+Na-2H]- 182.095116 138.2
[M]+ 161.11990142 132.1
[M]- 161.12099858 132.1
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

No patent data available for this compound.