CID 3050744

67013-95-0

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1CC=CCC1C(=O)N2CCCC2
InChI
InChI=1S/C12H19NO/c1-10-6-2-3-7-11(10)12(14)13-8-4-5-9-13/h2-3,10-11H,4-9H2,1H3
InChIKey
KDXXJGFMQTYNRB-UHFFFAOYSA-N
Compound name
(6-methylcyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 146.5
[M+Na]+ 216.13589 150.7
[M-H]- 192.13939 150.7
[M+NH4]+ 211.18049 166.0
[M+K]+ 232.10983 148.7
[M+H-H2O]+ 176.14393 139.2
[M+HCOO]- 238.14487 164.6
[M+CH3COO]- 252.16052 182.5
[M+Na-2H]- 214.12134 147.0
[M]+ 193.14612 140.8
[M]- 193.14722 140.8
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

No patent data available for this compound.