CID 6497120

887694-84-0

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC1=CC(=C(N1CCN2CCOCC2)C)C=O
InChI
InChI=1S/C13H20N2O2/c1-11-9-13(10-16)12(2)15(11)4-3-14-5-7-17-8-6-14/h9-10H,3-8H2,1-2H3
InChIKey
QWLYDRSDAWRCRH-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 155.7
[M+Na]+ 259.14170 162.7
[M-H]- 235.14520 159.9
[M+NH4]+ 254.18630 171.5
[M+K]+ 275.11564 161.0
[M+H-H2O]+ 219.14974 147.7
[M+HCOO]- 281.15068 173.9
[M+CH3COO]- 295.16633 192.0
[M+Na-2H]- 257.12715 157.2
[M]+ 236.15193 155.9
[M]- 236.15303 155.9
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.