CID 1897533

4-(propargyloxy)benzaldehyde

Structural Information

Molecular Formula
C10H8O2
SMILES
C#CCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H8O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6,8H,7H2
InChIKey
GSSBOYWRKTVVQX-UHFFFAOYSA-N
Compound name
4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

160.05243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 132.0
[M+Na]+ 183.04165 143.0
[M-H]- 159.04515 134.5
[M+NH4]+ 178.08625 150.8
[M+K]+ 199.01559 139.2
[M+H-H2O]+ 143.04969 120.6
[M+HCOO]- 205.05063 151.2
[M+CH3COO]- 219.06628 185.6
[M+Na-2H]- 181.02710 138.1
[M]+ 160.05188 128.7
[M]- 160.05298 128.7
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