CID 458433

40393-99-5

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

288
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 131.7
[M+Na]+ 172.109668 140.8
[M-H]- 148.113174 135.7
[M+NH4]+ 167.154273 153.5
[M+K]+ 188.083608 138.3
[M+H-H2O]+ 132.117710 126.6
[M+HCOO]- 194.118651 156.4
[M+CH3COO]- 208.134301 181.9
[M+Na-2H]- 170.095116 136.6
[M]+ 149.11990142 131.4
[M]- 149.12099858 131.4
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