CID 4962541

3-(2,4-dimethylphenyl)propan-1-amine

Structural Information

Molecular Formula
C11H17N
SMILES
CC1=CC(=C(C=C1)CCCN)C
InChI
InChI=1S/C11H17N/c1-9-5-6-11(4-3-7-12)10(2)8-9/h5-6,8H,3-4,7,12H2,1-2H3
InChIKey
VSZZXNDMAVSNDT-UHFFFAOYSA-N
Compound name
3-(2,4-dimethylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

163.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 136.9
[M+Na]+ 186.12532 144.5
[M-H]- 162.12882 140.3
[M+NH4]+ 181.16992 157.8
[M+K]+ 202.09926 141.8
[M+H-H2O]+ 146.13336 131.2
[M+HCOO]- 208.13430 161.2
[M+CH3COO]- 222.14995 183.8
[M+Na-2H]- 184.11077 141.9
[M]+ 163.13555 136.6
[M]- 163.13665 136.6
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