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

8
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 130.7
[M+Na]+ 164.104588 137.1
[M-H]- 140.108094 134.3
[M+NH4]+ 159.149193 155.6
[M+K]+ 180.078528 136.9
[M+H-H2O]+ 124.112630 126.0
[M+HCOO]- 186.113571 155.0
[M+CH3COO]- 200.129221 176.0
[M+Na-2H]- 162.090036 136.3
[M]+ 141.11482142 129.7
[M]- 141.11591858 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