CID 26692

2-naphthalenemethanol, 1,2,3,4-tetrahydro-alpha-((isopropylamino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C15H23NO
SMILES
CC(C)NCC(C1CCC2=CC=CC=C2C1)O
InChI
InChI=1S/C15H23NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-6,11,14-17H,7-10H2,1-2H3
InChIKey
HWUHKUGQGSTAGB-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 156.2
[M+Na]+ 256.16718 159.4
[M-H]- 232.17068 158.1
[M+NH4]+ 251.21178 173.9
[M+K]+ 272.14112 156.2
[M+H-H2O]+ 216.17522 149.7
[M+HCOO]- 278.17616 173.4
[M+CH3COO]- 292.19181 194.7
[M+Na-2H]- 254.15263 159.1
[M]+ 233.17741 152.0
[M]- 233.17851 152.1
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.