CID 693331

1-cyclopropyl-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=CC(=C(N1C2CC2)C)C=O
InChI
InChI=1S/C10H13NO/c1-7-5-9(6-12)8(2)11(7)10-3-4-10/h5-6,10H,3-4H2,1-2H3
InChIKey
ZBULWGFKZMHJLU-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,5-dimethylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

163.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.2
[M+Na]+ 186.088938 147.1
[M-H]- 162.092444 142.2
[M+NH4]+ 181.133543 152.3
[M+K]+ 202.062878 143.4
[M+H-H2O]+ 146.096980 129.0
[M+HCOO]- 208.097921 159.5
[M+CH3COO]- 222.113571 183.5
[M+Na-2H]- 184.074386 138.9
[M]+ 163.09917142 139.6
[M]- 163.10026858 139.6
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

No patent data available for this compound.