CID 39869824

2-(3-formyl-2,5-dimethyl-1h-pyrrol-1-yl)acetonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC(=C(N1CC#N)C)C=O
InChI
InChI=1S/C9H10N2O/c1-7-5-9(6-12)8(2)11(7)4-3-10/h5-6H,4H2,1-2H3
InChIKey
DQYBGDNUCFYOCC-UHFFFAOYSA-N
Compound name
2-(3-formyl-2,5-dimethylpyrrol-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 131.4
[M+Na]+ 185.068538 143.3
[M-H]- 161.072044 134.0
[M+NH4]+ 180.113143 151.1
[M+K]+ 201.042478 140.7
[M+H-H2O]+ 145.076580 118.9
[M+HCOO]- 207.077521 152.1
[M+CH3COO]- 221.093171 192.2
[M+Na-2H]- 183.053986 135.3
[M]+ 162.07877142 129.0
[M]- 162.07986858 129.0
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

No patent data available for this compound.