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

5
Patents

243.16231 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 158.3
[M+Na]+ 266.15153 170.3
[M+NH4]+ 261.19613 167.1
[M+K]+ 282.12547 162.9
[M-H]- 242.15503 161.6
[M+Na-2H]- 264.13698 164.5
[M]+ 243.16176 160.9
[M]- 243.16286 160.9
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