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

50
Patents

161.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 131.5
[M+Na]+ 184.109668 135.8
[M-H]- 160.113174 137.5
[M+NH4]+ 179.154273 145.3
[M+K]+ 200.083608 136.5
[M+H-H2O]+ 144.117710 119.7
[M+HCOO]- 206.118651 154.7
[M+CH3COO]- 220.134301 183.8
[M+Na-2H]- 182.095116 138.9
[M]+ 161.11990142 137.2
[M]- 161.12099858 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