CID 2400455

2,5-dimethyl-1-propyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C10H15NO
SMILES
CCCN1C(=CC(=C1C)C=O)C
InChI
InChI=1S/C10H15NO/c1-4-5-11-8(2)6-10(7-12)9(11)3/h6-7H,4-5H2,1-3H3
InChIKey
GETOENOXCMONOE-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-propylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

165.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 134.9
[M+Na]+ 188.104588 145.0
[M-H]- 164.108094 137.9
[M+NH4]+ 183.149193 157.0
[M+K]+ 204.078528 142.9
[M+H-H2O]+ 148.112630 129.4
[M+HCOO]- 210.113571 159.0
[M+CH3COO]- 224.129221 181.7
[M+Na-2H]- 186.090036 138.3
[M]+ 165.11482142 138.4
[M]- 165.11591858 138.4
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