CID 23041

6545-97-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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

No literature data available for this compound.

Patent stripe

patents stripe