CID 3827783

3-amino-2,5,5-trimethyl-2-cyclohexen-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 131.0
[M+Na]+ 176.104588 139.6
[M-H]- 152.108094 134.9
[M+NH4]+ 171.149193 154.4
[M+K]+ 192.078528 138.0
[M+H-H2O]+ 136.112630 127.0
[M+HCOO]- 198.113571 153.5
[M+CH3COO]- 212.129221 180.3
[M+Na-2H]- 174.090036 135.8
[M]+ 153.11482142 128.5
[M]- 153.11591858 128.5
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.