CID 109036

N-butyl-3-methylaniline

Structural Information

Molecular Formula
C11H17N
SMILES
CCCCNC1=CC=CC(=C1)C
InChI
InChI=1S/C11H17N/c1-3-4-8-12-11-7-5-6-10(2)9-11/h5-7,9,12H,3-4,8H2,1-2H3
InChIKey
UUSGZWZUYJHBJS-UHFFFAOYSA-N
Compound name
N-butyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

163.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 136.7
[M+Na]+ 186.125318 143.3
[M-H]- 162.128824 140.2
[M+NH4]+ 181.169923 157.5
[M+K]+ 202.099258 140.9
[M+H-H2O]+ 146.133360 130.7
[M+HCOO]- 208.134301 161.6
[M+CH3COO]- 222.149951 183.4
[M+Na-2H]- 184.110766 143.5
[M]+ 163.13555142 137.0
[M]- 163.13664858 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe