CID 41529

(+-)-alpha-(1-(isopropylamino)ethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(C)NC(C)C(C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO/c1-9(2)13-10(3)12(14)11-7-5-4-6-8-11/h4-10,12-14H,1-3H3
InChIKey
DPMPTDANQUZYEX-UHFFFAOYSA-N
Compound name
1-phenyl-2-(propan-2-ylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

193.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 147.0
[M+Na]+ 216.135888 151.0
[M-H]- 192.139394 148.7
[M+NH4]+ 211.180493 165.2
[M+K]+ 232.109828 149.4
[M+H-H2O]+ 176.143930 140.8
[M+HCOO]- 238.144871 167.3
[M+CH3COO]- 252.160521 187.3
[M+Na-2H]- 214.121336 149.5
[M]+ 193.14612142 144.8
[M]- 193.14721858 144.8
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

patents stripe