CID 2393655

730950-24-0

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1=CC(=C(N1CC(C)C)C)C=O
InChI
InChI=1S/C11H17NO/c1-8(2)6-12-9(3)5-11(7-13)10(12)4/h5,7-8H,6H2,1-4H3
InChIKey
WTOBFOKEYMYMIF-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-(2-methylpropyl)pyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 139.7
[M+Na]+ 202.12023 149.1
[M-H]- 178.12373 142.7
[M+NH4]+ 197.16483 161.2
[M+K]+ 218.09417 147.3
[M+H-H2O]+ 162.12827 134.1
[M+HCOO]- 224.12921 162.5
[M+CH3COO]- 238.14486 185.5
[M+Na-2H]- 200.10568 141.4
[M]+ 179.13046 142.9
[M]- 179.13156 142.9
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.