CID 18185986

Trans-4,5-dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1C=C(C(=O)C1C)N2CCCC2
InChI
InChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3
InChIKey
QIZMUNLEIQZDBA-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.1
[M+Na]+ 202.12023 148.8
[M-H]- 178.12373 146.6
[M+NH4]+ 197.16483 163.7
[M+K]+ 218.09417 146.7
[M+H-H2O]+ 162.12827 135.1
[M+HCOO]- 224.12921 162.8
[M+CH3COO]- 238.14486 181.6
[M+Na-2H]- 200.10568 140.7
[M]+ 179.13046 138.8
[M]- 179.13156 138.8
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