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

0
Patents

127.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 124.5
[M+Na]+ 150.08894 133.6
[M-H]- 126.09244 127.3
[M+NH4]+ 145.13354 149.6
[M+K]+ 166.06288 133.5
[M+H-H2O]+ 110.09698 119.8
[M+HCOO]- 172.09792 148.1
[M+CH3COO]- 186.11357 170.5
[M+Na-2H]- 148.07439 131.1
[M]+ 127.09917 125.6
[M]- 127.10027 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

No patent data available for this compound.