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]+ 180.138286 139.7
[M+Na]+ 202.120228 149.1
[M-H]- 178.123734 142.7
[M+NH4]+ 197.164833 161.2
[M+K]+ 218.094168 147.3
[M+H-H2O]+ 162.128270 134.1
[M+HCOO]- 224.129211 162.5
[M+CH3COO]- 238.144861 185.5
[M+Na-2H]- 200.105676 141.4
[M]+ 179.13046142 142.9
[M]- 179.13155858 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.