CID 5086468

1-(3,4-dimethylphenyl)ethan-1-amine

Structural Information

Molecular Formula
C10H15N
SMILES
CC1=C(C=C(C=C1)C(C)N)C
InChI
InChI=1S/C10H15N/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9H,11H2,1-3H3
InChIKey
PMUVPGYHXWUERM-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

59
Patents

149.12045 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 132.6
[M+Na]+ 172.109668 140.4
[M-H]- 148.113174 136.3
[M+NH4]+ 167.154273 154.0
[M+K]+ 188.083608 138.4
[M+H-H2O]+ 132.117710 127.3
[M+HCOO]- 194.118651 156.3
[M+CH3COO]- 208.134301 181.6
[M+Na-2H]- 170.095116 136.9
[M]+ 149.11990142 131.3
[M]- 149.12099858 131.3
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