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]+ 223.193066 151.9
[M+Na]+ 245.175008 157.2
[M-H]- 221.178514 155.4
[M+NH4]+ 240.219613 170.2
[M+K]+ 261.148948 149.7
[M+H-H2O]+ 205.183050 149.2
[M+HCOO]- 267.183991 172.5
[M+CH3COO]- 281.199641 187.5
[M+Na-2H]- 243.160456 161.8
[M]+ 222.18524142 151.7
[M]- 222.18633858 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.