CID 45446

2-(alpha-methylphenethyl)aminoethanol

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(CC1=CC=CC=C1)NCCO
InChI
InChI=1S/C11H17NO/c1-10(12-7-8-13)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKey
KQERCLGZXVLCKZ-UHFFFAOYSA-N
Compound name
2-(1-phenylpropan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.13101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.5
[M+Na]+ 202.12023 146.4
[M-H]- 178.12373 143.2
[M+NH4]+ 197.16483 160.4
[M+K]+ 218.09417 144.0
[M+H-H2O]+ 162.12827 135.3
[M+HCOO]- 224.12921 164.1
[M+CH3COO]- 238.14486 182.4
[M+Na-2H]- 200.10568 147.1
[M]+ 179.13046 140.2
[M]- 179.13156 140.2
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