CID 15384

3-hydroxyphenyltrimethylammonium bromide

Structural Information

Molecular Formula
C9H14NO
SMILES
C[N+](C)(C)C1=CC(=CC=C1)O
InChI
InChI=1S/C9H13NO/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3/p+1
InChIKey
CSKWZSUBRGLJBC-UHFFFAOYSA-O
Compound name
(3-hydroxyphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

91
Patents

152.10754 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.114816 128.6
[M+Na]+ 175.096758 136.5
[M-H]- 151.100264 133.1
[M+NH4]+ 170.141363 150.0
[M+K]+ 191.070698 129.8
[M+H-H2O]+ 135.104800 126.6
[M+HCOO]- 197.105741 152.5
[M+CH3COO]- 211.121391 172.9
[M+Na-2H]- 173.082206 139.6
[M]+ 152.10699142 127.5
[M]- 152.10808858 127.5
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