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

19
Patents

163.1361 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 136.2
[M+Na]+ 186.125318 143.9
[M-H]- 162.128824 140.2
[M+NH4]+ 181.169923 157.4
[M+K]+ 202.099258 141.5
[M+H-H2O]+ 146.133360 130.6
[M+HCOO]- 208.134301 161.2
[M+CH3COO]- 222.149951 184.5
[M+Na-2H]- 184.110766 142.4
[M]+ 163.13555142 136.9
[M]- 163.13664858 136.9
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