CID 19136

Metaterol

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)NCC(C1=CC(=CC=C1)O)O
InChI
InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-4-3-5-10(13)6-9/h3-6,8,11-14H,7H2,1-2H3
InChIKey
LVISWIXSNZQRHA-UHFFFAOYSA-N
Compound name
3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

57
Patents

195.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 145.2
[M+Na]+ 218.11515 150.3
[M-H]- 194.11865 146.0
[M+NH4]+ 213.15975 162.9
[M+K]+ 234.08909 148.1
[M+H-H2O]+ 178.12319 139.3
[M+HCOO]- 240.12413 165.5
[M+CH3COO]- 254.13978 184.0
[M+Na-2H]- 216.10060 148.3
[M]+ 195.12538 143.2
[M]- 195.12648 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe