CID 34651

Alpha-((sec-butylamino)methyl)-p-cyclopropyl-benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C15H23NO
SMILES
CCC(C)NCC(C1=CC=C(C=C1)C2CC2)O
InChI
InChI=1S/C15H23NO/c1-3-11(2)16-10-15(17)14-8-6-13(7-9-14)12-4-5-12/h6-9,11-12,15-17H,3-5,10H2,1-2H3
InChIKey
OHTNBHHTHMVVJB-UHFFFAOYSA-N
Compound name
2-(butan-2-ylamino)-1-(4-cyclopropylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 150.8
[M+Na]+ 256.167178 156.8
[M-H]- 232.170684 156.5
[M+NH4]+ 251.211783 163.1
[M+K]+ 272.141118 153.0
[M+H-H2O]+ 216.175220 144.0
[M+HCOO]- 278.176161 172.0
[M+CH3COO]- 292.191811 197.7
[M+Na-2H]- 254.152626 153.7
[M]+ 233.17741142 152.2
[M]- 233.17850858 152.2
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.