CID 23273462

2-(2,6-dimethylphenyl)ethan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.