CID 211415

2,5-dimethylphenethylamine

Structural Information

Molecular Formula
C10H15N
SMILES
CC1=CC(=C(C=C1)C)CCN
InChI
InChI=1S/C10H15N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5-6,11H2,1-2H3
InChIKey
RNEFNTMBBIKOFO-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

118
Patents

149.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.2
[M+Na]+ 172.10967 140.3
[M-H]- 148.11317 135.8
[M+NH4]+ 167.15427 153.7
[M+K]+ 188.08361 137.8
[M+H-H2O]+ 132.11771 126.8
[M+HCOO]- 194.11865 156.9
[M+CH3COO]- 208.13430 180.8
[M+Na-2H]- 170.09512 137.8
[M]+ 149.11990 131.5
[M]- 149.12100 131.5
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