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]+ 162.12773 131.5
[M+Na]+ 184.10967 140.2
[M-H]- 160.11317 138.7
[M+NH4]+ 179.15427 147.3
[M+K]+ 200.08361 136.7
[M+H-H2O]+ 144.11771 125.0
[M+HCOO]- 206.11865 156.6
[M+CH3COO]- 220.13430 184.4
[M+Na-2H]- 182.09512 138.2
[M]+ 161.11990 132.1
[M]- 161.12100 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.