CID 5240602

4-(benzylamino)-4-methyl-2-pentanol

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(CC(C)(C)NCC1=CC=CC=C1)O
InChI
InChI=1S/C13H21NO/c1-11(15)9-13(2,3)14-10-12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3
InChIKey
PBSANKVAPLDYBT-UHFFFAOYSA-N
Compound name
4-(benzylamino)-4-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 150.5
[M+Na]+ 230.151528 155.0
[M-H]- 206.155034 152.2
[M+NH4]+ 225.196133 168.4
[M+K]+ 246.125468 152.6
[M+H-H2O]+ 190.159570 144.6
[M+HCOO]- 252.160511 170.9
[M+CH3COO]- 266.176161 188.8
[M+Na-2H]- 228.136976 155.7
[M]+ 207.16176142 149.5
[M]- 207.16285858 149.5
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

No patent data available for this compound.