CID 3026627

Niosh/bq5432000

Structural Information

Molecular Formula
C12H20NO
SMILES
CCC(C1=CC=C(C=C1)O)[N+](C)(C)C
InChI
InChI=1S/C12H19NO/c1-5-12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12H,5H2,1-4H3/p+1
InChIKey
XXSYYZSSGQFMIU-UHFFFAOYSA-O
Compound name
1-(4-hydroxyphenyl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1545 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16178 142.6
[M+Na]+ 217.14372 149.0
[M-H]- 193.14722 146.7
[M+NH4]+ 212.18832 162.2
[M+K]+ 233.11766 142.0
[M+H-H2O]+ 177.15176 140.1
[M+HCOO]- 239.15270 164.5
[M+CH3COO]- 253.16835 182.8
[M+Na-2H]- 215.12917 150.8
[M]+ 194.15395 141.9
[M]- 194.15505 141.9
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.