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 134.1
[M+Na]+ 184.10967 142.0
[M+NH4]+ 179.15427 140.1
[M+K]+ 200.08361 136.4
[M-H]- 160.11317 136.5
[M+Na-2H]- 182.09512 140.7
[M]+ 161.11990 134.7
[M]- 161.12100 134.7
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