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]+ 112.07569 120.0
[M+Na]+ 134.05763 128.4
[M-H]- 110.06113 122.9
[M+NH4]+ 129.10223 144.0
[M+K]+ 150.03157 126.6
[M+H-H2O]+ 94.065670 115.6
[M+HCOO]- 156.06661 144.7
[M+CH3COO]- 170.08226 168.2
[M+Na-2H]- 132.04308 125.0
[M]+ 111.06786 116.8
[M]- 111.06896 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.