CID 13692862

3,4-dimethyl-n-propylaniline hydrochloride

Structural Information

Molecular Formula
C11H17N
SMILES
CCCNC1=CC(=C(C=C1)C)C
InChI
InChI=1S/C11H17N/c1-4-7-12-11-6-5-9(2)10(3)8-11/h5-6,8,12H,4,7H2,1-3H3
InChIKey
IUUUZHVOTZWDBN-UHFFFAOYSA-N
Compound name
3,4-dimethyl-N-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

163.1361 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 136.7
[M+Na]+ 186.12532 149.9
[M+NH4]+ 181.16992 146.2
[M+K]+ 202.09926 142.0
[M-H]- 162.12882 140.5
[M+Na-2H]- 184.11077 144.3
[M]+ 163.13555 139.7
[M]- 163.13665 139.7
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