CID 6485565

1-tert-butyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)(C)N1C=CC(=C1)C=O
InChI
InChI=1S/C9H13NO/c1-9(2,3)10-5-4-8(6-10)7-11/h4-7H,1-3H3
InChIKey
GRBRIIBLVDTOMG-UHFFFAOYSA-N
Compound name
1-tert-butylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

151.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.3
[M+Na]+ 174.08894 141.4
[M-H]- 150.09244 135.1
[M+NH4]+ 169.13354 154.5
[M+K]+ 190.06288 140.1
[M+H-H2O]+ 134.09698 127.0
[M+HCOO]- 196.09792 155.2
[M+CH3COO]- 210.11357 176.0
[M+Na-2H]- 172.07439 138.2
[M]+ 151.09917 134.0
[M]- 151.10027 134.0
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.