CID 62340

93-90-3

Structural Information

Molecular Formula
C9H13NO
SMILES
CN(CCO)C1=CC=CC=C1
InChI
InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
VIIZJXNVVJKISZ-UHFFFAOYSA-N
Compound name
2-(N-methylanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1684
Patents

151.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.7
[M+Na]+ 174.08894 138.0
[M-H]- 150.09244 135.3
[M+NH4]+ 169.13354 152.5
[M+K]+ 190.06288 137.0
[M+H-H2O]+ 134.09698 125.7
[M+HCOO]- 196.09792 156.6
[M+CH3COO]- 210.11357 179.0
[M+Na-2H]- 172.07439 139.0
[M]+ 151.09917 131.7
[M]- 151.10027 131.7
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