CID 4193577

N-ethyl-n-isopropylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

142
Patents

163.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 137.6
[M+Na]+ 186.125318 143.2
[M-H]- 162.128824 142.3
[M+NH4]+ 181.169923 158.7
[M+K]+ 202.099258 142.7
[M+H-H2O]+ 146.133360 131.3
[M+HCOO]- 208.134301 162.1
[M+CH3COO]- 222.149951 186.7
[M+Na-2H]- 184.110766 143.1
[M]+ 163.13555142 138.1
[M]- 163.13664858 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

literature stripe

Patent stripe

patents stripe