CID 61779672

N-cyclobutyl-2-methylaniline

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC=CC=C1NC2CCC2
InChI
InChI=1S/C11H15N/c1-9-5-2-3-8-11(9)12-10-6-4-7-10/h2-3,5,8,10,12H,4,6-7H2,1H3
InChIKey
VVEHLKQZUPHYKN-UHFFFAOYSA-N
Compound name
N-cyclobutyl-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 132.0
[M+Na]+ 184.109668 137.2
[M-H]- 160.113174 138.4
[M+NH4]+ 179.154273 146.1
[M+K]+ 200.083608 137.9
[M+H-H2O]+ 144.117710 120.4
[M+HCOO]- 206.118651 155.2
[M+CH3COO]- 220.134301 184.8
[M+Na-2H]- 182.095116 138.6
[M]+ 161.11990142 138.1
[M]- 161.12099858 138.1
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.