CID 137903

3357-16-2

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1(CC(=CC(=O)C1)N2CCCC2)C
InChI
InChI=1S/C12H19NO/c1-12(2)8-10(7-11(14)9-12)13-5-3-4-6-13/h7H,3-6,8-9H2,1-2H3
InChIKey
QUHBLBSKTJUBLZ-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

193.14667 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 146.4
[M+Na]+ 216.13589 157.3
[M+NH4]+ 211.18049 156.6
[M+K]+ 232.10983 150.4
[M-H]- 192.13939 149.4
[M+Na-2H]- 214.12134 153.1
[M]+ 193.14612 148.8
[M]- 193.14722 148.8
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

patents stripe