CID 10888254

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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

No literature data available for this compound.

Patent stripe

patents stripe