CID 16728670

Chembl209840

Structural Information

Molecular Formula
C8H15NO
SMILES
CN(C)CC1(CCC=C1)O
InChI
InChI=1S/C8H15NO/c1-9(2)7-8(10)5-3-4-6-8/h3,5,10H,4,6-7H2,1-2H3
InChIKey
UJUUZNYWKKOIEB-UHFFFAOYSA-N
Compound name
1-[(dimethylamino)methyl]cyclopent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 130.7
[M+Na]+ 164.10459 137.1
[M-H]- 140.10809 134.3
[M+NH4]+ 159.14919 155.6
[M+K]+ 180.07853 136.9
[M+H-H2O]+ 124.11263 126.0
[M+HCOO]- 186.11357 155.0
[M+CH3COO]- 200.12922 176.0
[M+Na-2H]- 162.09004 136.3
[M]+ 141.11482 129.7
[M]- 141.11592 129.7
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