CID 12311489

5-imino-2-methyl-1-cyclopenten-1-ol

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1=C(C(=N)CC1)O
InChI
InChI=1S/C6H9NO/c1-4-2-3-5(7)6(4)8/h7-8H,2-3H2,1H3
InChIKey
FUWRNKPZYXVMOZ-UHFFFAOYSA-N
Compound name
5-imino-2-methylcyclopenten-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 120.0
[M+Na]+ 134.057628 128.4
[M-H]- 110.061134 122.9
[M+NH4]+ 129.102233 144.0
[M+K]+ 150.031568 126.6
[M+H-H2O]+ 94.065670 115.6
[M+HCOO]- 156.066611 144.7
[M+CH3COO]- 170.082261 168.2
[M+Na-2H]- 132.043076 125.0
[M]+ 111.06786142 116.8
[M]- 111.06895858 116.8
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.