CID 123406

2-ethylbenzaldehyde

Structural Information

Molecular Formula
C9H10O
SMILES
CCC1=CC=CC=C1C=O
InChI
InChI=1S/C9H10O/c1-2-8-5-3-4-6-9(8)7-10/h3-7H,2H2,1H3
InChIKey
NTWBHJYRDKBGBR-UHFFFAOYSA-N
Compound name
2-ethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2837
Patents

134.07317 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 124.7
[M+Na]+ 157.06239 133.4
[M-H]- 133.06589 128.7
[M+NH4]+ 152.10699 146.9
[M+K]+ 173.03633 131.6
[M+H-H2O]+ 117.07043 119.5
[M+HCOO]- 179.07137 149.8
[M+CH3COO]- 193.08702 173.6
[M+Na-2H]- 155.04784 132.4
[M]+ 134.07262 125.8
[M]- 134.07372 125.8
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