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

19
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

literature stripe

Patent stripe

patents stripe