CID 254815

2-(2-((dimethylamino)methyl)phenyl)ethanol

Structural Information

Molecular Formula
C11H17NO
SMILES
CN(C)CC1=CC=CC=C1CCO
InChI
InChI=1S/C11H17NO/c1-12(2)9-11-6-4-3-5-10(11)7-8-13/h3-6,13H,7-9H2,1-2H3
InChIKey
GNXNEPUCWXANEW-UHFFFAOYSA-N
Compound name
2-[2-[(dimethylamino)methyl]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.6
[M+Na]+ 202.12023 147.0
[M-H]- 178.12373 144.2
[M+NH4]+ 197.16483 160.7
[M+K]+ 218.09417 145.6
[M+H-H2O]+ 162.12827 134.5
[M+HCOO]- 224.12921 164.8
[M+CH3COO]- 238.14486 186.2
[M+Na-2H]- 200.10568 146.1
[M]+ 179.13046 141.7
[M]- 179.13156 141.7
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