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 158.2
[M+Na]+ 266.15153 163.0
[M-H]- 242.15503 160.7
[M+NH4]+ 261.19613 175.6
[M+K]+ 282.12547 159.2
[M+H-H2O]+ 226.15957 151.5
[M+HCOO]- 288.16051 178.0
[M+CH3COO]- 302.17616 197.0
[M+Na-2H]- 264.13698 162.6
[M]+ 243.16176 157.3
[M]- 243.16286 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