CID 31541

1-(isopropylamino)-4-phenyl-2-butanol hydrochloride

Structural Information

Molecular Formula
C13H21NO
SMILES
CC(C)NCC(CCC1=CC=CC=C1)O
InChI
InChI=1S/C13H21NO/c1-11(2)14-10-13(15)9-8-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKey
HLXFIAXGPJJHJL-UHFFFAOYSA-N
Compound name
4-phenyl-1-(propan-2-ylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 151.3
[M+Na]+ 230.151528 155.1
[M-H]- 206.155034 152.7
[M+NH4]+ 225.196133 169.0
[M+K]+ 246.125468 152.7
[M+H-H2O]+ 190.159570 144.8
[M+HCOO]- 252.160511 172.3
[M+CH3COO]- 266.176161 189.4
[M+Na-2H]- 228.136976 154.6
[M]+ 207.16176142 150.1
[M]- 207.16285858 150.1
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.