CID 14508

5-methyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C6H7NO
SMILES
CC1=CC=C(N1)C=O
InChI
InChI=1S/C6H7NO/c1-5-2-3-6(4-8)7-5/h2-4,7H,1H3
InChIKey
LFWLUDLUCDRDAF-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

173
Patents

109.052765 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 118.8
[M+Na]+ 132.04198 128.2
[M-H]- 108.04549 120.2
[M+NH4]+ 127.08659 141.7
[M+K]+ 148.01592 126.3
[M+H-H2O]+ 92.050025 113.6
[M+HCOO]- 154.05097 142.7
[M+CH3COO]- 168.06662 164.5
[M+Na-2H]- 130.02743 125.1
[M]+ 109.05222 118.0
[M]- 109.05331 118.0
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