CID 76497

3077-12-1

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1=CC=C(C=C1)N(CCO)CCO
InChI
InChI=1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
InChIKey
JUVSRZCUMWZBFK-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

8608
Patents

195.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.2
[M+Na]+ 218.11515 150.1
[M-H]- 194.11865 146.4
[M+NH4]+ 213.15975 162.8
[M+K]+ 234.08909 148.3
[M+H-H2O]+ 178.12319 138.0
[M+HCOO]- 240.12413 167.1
[M+CH3COO]- 254.13978 185.6
[M+Na-2H]- 216.10060 149.2
[M]+ 195.12538 144.8
[M]- 195.12648 144.8
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