CID 31537

Alpha-((isopropylamino)methyl)-1-naphthaleneethanol hydrochloride

Structural Information

Molecular Formula
C16H21NO
SMILES
CC(C)NCC(CC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C16H21NO/c1-12(2)17-11-15(18)10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,12,15,17-18H,10-11H2,1-2H3
InChIKey
UPWFAGQZEUYCAX-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.16231 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 158.2
[M+Na]+ 266.151528 163.0
[M-H]- 242.155034 160.7
[M+NH4]+ 261.196133 175.6
[M+K]+ 282.125468 159.2
[M+H-H2O]+ 226.159570 151.5
[M+HCOO]- 288.160511 178.0
[M+CH3COO]- 302.176161 197.0
[M+Na-2H]- 264.136976 162.6
[M]+ 243.16176142 157.3
[M]- 243.16285858 157.3
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

patents stripe