CID 46216

(+-)-alpha-(1-(n-propylamino)ethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C12H19NO
SMILES
CCCNC(C)C(C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO/c1-3-9-13-10(2)12(14)11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3
InChIKey
TZGNKPPTDBAJAP-UHFFFAOYSA-N
Compound name
1-phenyl-2-(propylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 146.7
[M+Na]+ 216.13589 150.9
[M-H]- 192.13939 148.3
[M+NH4]+ 211.18049 165.0
[M+K]+ 232.10983 148.8
[M+H-H2O]+ 176.14393 140.4
[M+HCOO]- 238.14487 168.0
[M+CH3COO]- 252.16052 186.3
[M+Na-2H]- 214.12134 150.5
[M]+ 193.14612 145.2
[M]- 193.14722 145.2
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.