CID 59517

102571-30-2

Structural Information

Molecular Formula
C14H24NO
SMILES
CCC(C[N+](C)(C)C)(CO)C1=CC=CC=C1
InChI
InChI=1S/C14H24NO/c1-5-14(12-16,11-15(2,3)4)13-9-7-6-8-10-13/h6-10,16H,5,11-12H2,1-4H3/q+1
InChIKey
INQNBWYEMHVQJQ-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-phenylbutyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.18579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.19307 151.9
[M+Na]+ 245.17501 157.2
[M-H]- 221.17851 155.4
[M+NH4]+ 240.21961 170.2
[M+K]+ 261.14895 149.7
[M+H-H2O]+ 205.18305 149.2
[M+HCOO]- 267.18399 172.5
[M+CH3COO]- 281.19964 187.5
[M+Na-2H]- 243.16046 161.8
[M]+ 222.18524 151.7
[M]- 222.18634 151.7
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.