CID 72223393

1198167-18-8

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CC1OC2=CN=C(C=C2)C=O
InChI
InChI=1S/C9H9NO2/c11-6-7-1-2-9(5-10-7)12-8-3-4-8/h1-2,5-6,8H,3-4H2
InChIKey
HHEBNTGSVBXQHP-UHFFFAOYSA-N
Compound name
5-cyclopropyloxypyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

163.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 135.5
[M+Na]+ 186.05254 146.0
[M-H]- 162.05604 142.0
[M+NH4]+ 181.09714 150.1
[M+K]+ 202.02648 143.2
[M+H-H2O]+ 146.06058 128.2
[M+HCOO]- 208.06152 159.9
[M+CH3COO]- 222.07717 180.3
[M+Na-2H]- 184.03799 143.1
[M]+ 163.06277 139.4
[M]- 163.06387 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe