CID 165594071

5-methoxy-3,3-dimethyl-3,4-dihydro-2h-pyrrole

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1(CC(=NC1)OC)C
InChI
InChI=1S/C7H13NO/c1-7(2)4-6(9-3)8-5-7/h4-5H2,1-3H3
InChIKey
MFNSQCYCPPFBFP-UHFFFAOYSA-N
Compound name
5-methoxy-3,3-dimethyl-2,4-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 124.5
[M+Na]+ 150.088938 133.6
[M-H]- 126.092444 127.3
[M+NH4]+ 145.133543 149.6
[M+K]+ 166.062878 133.5
[M+H-H2O]+ 110.096980 119.8
[M+HCOO]- 172.097921 148.1
[M+CH3COO]- 186.113571 170.5
[M+Na-2H]- 148.074386 131.1
[M]+ 127.09917142 125.6
[M]- 127.10026858 125.6
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

patents stripe