CID 15365280

N-benzylcyclobutanamine hydrochloride

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC(C1)NCC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-5-10(6-3-1)9-12-11-7-4-8-11/h1-3,5-6,11-12H,4,7-9H2
InChIKey
KCAPTTPXCZRLTD-UHFFFAOYSA-N
Compound name
N-benzylcyclobutanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 131.5
[M+Na]+ 184.10967 135.8
[M-H]- 160.11317 137.5
[M+NH4]+ 179.15427 145.3
[M+K]+ 200.08361 136.5
[M+H-H2O]+ 144.11771 119.7
[M+HCOO]- 206.11865 154.7
[M+CH3COO]- 220.13430 183.8
[M+Na-2H]- 182.09512 138.9
[M]+ 161.11990 137.2
[M]- 161.12100 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe