CID 154814386

2551118-03-5

Structural Information

Molecular Formula
C7H13NO
SMILES
CC1(C=CCN1)COC
InChI
InChI=1S/C7H13NO/c1-7(6-9-2)4-3-5-8-7/h3-4,8H,5-6H2,1-2H3
InChIKey
HWHZZORVRLTOAT-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-5-methyl-1,2-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 126.4
[M+Na]+ 150.08894 134.0
[M-H]- 126.09244 127.3
[M+NH4]+ 145.13354 150.3
[M+K]+ 166.06288 132.9
[M+H-H2O]+ 110.09698 121.4
[M+HCOO]- 172.09792 148.4
[M+CH3COO]- 186.11357 167.3
[M+Na-2H]- 148.07439 133.0
[M]+ 127.09917 125.2
[M]- 127.10027 125.2
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.