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]+ 164.10700 135.2
[M+Na]+ 186.08894 147.1
[M-H]- 162.09244 142.2
[M+NH4]+ 181.13354 152.3
[M+K]+ 202.06288 143.4
[M+H-H2O]+ 146.09698 129.0
[M+HCOO]- 208.09792 159.5
[M+CH3COO]- 222.11357 183.5
[M+Na-2H]- 184.07439 138.9
[M]+ 163.09917 139.6
[M]- 163.10027 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.