CID 97677

770-37-6

Structural Information

Molecular Formula
C9H11NO
SMILES
C1=CC=C(C=C1)C=NCCO
InChI
InChI=1S/C9H11NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKey
ALUFITGOFDIAAA-UHFFFAOYSA-N
Compound name
2-(benzylideneamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

149.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.9
[M+Na]+ 172.073278 136.8
[M-H]- 148.076784 133.5
[M+NH4]+ 167.117883 150.9
[M+K]+ 188.047218 134.8
[M+H-H2O]+ 132.081320 124.0
[M+HCOO]- 194.082261 156.0
[M+CH3COO]- 208.097911 176.6
[M+Na-2H]- 170.058726 138.5
[M]+ 149.08351142 129.8
[M]- 149.08460858 129.8
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