CID 417368

4519-36-2

Structural Information

Molecular Formula
C11H18N
SMILES
CC1=CC=C(C=C1)C[N+](C)(C)C
InChI
InChI=1S/C11H18N/c1-10-5-7-11(8-6-10)9-12(2,3)4/h5-8H,9H2,1-4H3/q+1
InChIKey
WSFDRHZUAHDHDN-UHFFFAOYSA-N
Compound name
trimethyl-[(4-methylphenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

339
Patents

164.14392 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.15120 133.9
[M+Na]+ 187.13314 141.5
[M-H]- 163.13664 139.5
[M+NH4]+ 182.17774 155.6
[M+K]+ 203.10708 134.8
[M+H-H2O]+ 147.14118 131.5
[M+HCOO]- 209.14212 158.4
[M+CH3COO]- 223.15777 180.0
[M+Na-2H]- 185.11859 144.3
[M]+ 164.14337 134.0
[M]- 164.14447 134.0
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