CID 45076032

N-(cyclobutylmethyl)aniline

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC(C1)CNC2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-2-7-11(8-3-1)12-9-10-5-4-6-10/h1-3,7-8,10,12H,4-6,9H2
InChIKey
NKLFLMIOOKWFHK-UHFFFAOYSA-N
Compound name
N-(cyclobutylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

161.12045 Da
Monoisotopic Mass

3.2
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

No literature data available for this compound.

Patent stripe

patents stripe