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]+ 162.12773 132.0
[M+Na]+ 184.10967 137.2
[M-H]- 160.11317 138.4
[M+NH4]+ 179.15427 146.1
[M+K]+ 200.08361 137.9
[M+H-H2O]+ 144.11771 120.4
[M+HCOO]- 206.11865 155.2
[M+CH3COO]- 220.13430 184.8
[M+Na-2H]- 182.09512 138.6
[M]+ 161.11990 138.1
[M]- 161.12100 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.