CID 472068

4-[(2,5-dimethyl-1h-pyrrol-3-yl)methyl]morpholine

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC1=CC(=C(N1)C)CN2CCOCC2
InChI
InChI=1S/C11H18N2O/c1-9-7-11(10(2)12-9)8-13-3-5-14-6-4-13/h7,12H,3-6,8H2,1-2H3
InChIKey
LPRYSLZZXYCHOE-UHFFFAOYSA-N
Compound name
4-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.1419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.14918 145.5
[M+Na]+ 217.13112 151.8
[M-H]- 193.13462 148.2
[M+NH4]+ 212.17572 162.1
[M+K]+ 233.10506 149.7
[M+H-H2O]+ 177.13916 137.8
[M+HCOO]- 239.14010 162.4
[M+CH3COO]- 253.15575 181.0
[M+Na-2H]- 215.11657 148.2
[M]+ 194.14135 141.9
[M]- 194.14245 141.9
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

No patent data available for this compound.