CID 136541

701-58-6

Structural Information

Molecular Formula
C9H15NO
SMILES
CC1(CC(=CC(=O)C1)NC)C
InChI
InChI=1S/C9H15NO/c1-9(2)5-7(10-3)4-8(11)6-9/h4,10H,5-6H2,1-3H3
InChIKey
KRTIOMAPNBTFRN-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

153.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 131.2
[M+Na]+ 176.104588 138.8
[M-H]- 152.108094 135.2
[M+NH4]+ 171.149193 154.5
[M+K]+ 192.078528 137.5
[M+H-H2O]+ 136.112630 126.7
[M+HCOO]- 198.113571 154.3
[M+CH3COO]- 212.129221 179.8
[M+Na-2H]- 174.090036 137.6
[M]+ 153.11482142 129.3
[M]- 153.11591858 129.3
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