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]+ 154.12265 131.0
[M+Na]+ 176.10459 139.6
[M-H]- 152.10809 134.9
[M+NH4]+ 171.14919 154.4
[M+K]+ 192.07853 138.0
[M+H-H2O]+ 136.11263 127.0
[M+HCOO]- 198.11357 153.5
[M+CH3COO]- 212.12922 180.3
[M+Na-2H]- 174.09004 135.8
[M]+ 153.11482 128.5
[M]- 153.11592 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.