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]+ 234.18524 150.8
[M+Na]+ 256.16718 156.8
[M-H]- 232.17068 156.5
[M+NH4]+ 251.21178 163.1
[M+K]+ 272.14112 153.0
[M+H-H2O]+ 216.17522 144.0
[M+HCOO]- 278.17616 172.0
[M+CH3COO]- 292.19181 197.7
[M+Na-2H]- 254.15263 153.7
[M]+ 233.17741 152.2
[M]- 233.17851 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.