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]+ 208.16959 151.3
[M+Na]+ 230.15153 155.1
[M-H]- 206.15503 152.7
[M+NH4]+ 225.19613 169.0
[M+K]+ 246.12547 152.7
[M+H-H2O]+ 190.15957 144.8
[M+HCOO]- 252.16051 172.3
[M+CH3COO]- 266.17616 189.4
[M+Na-2H]- 228.13698 154.6
[M]+ 207.16176 150.1
[M]- 207.16286 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.