CID 165311

5389-27-5

Structural Information

Molecular Formula
C12H17N2O3
SMILES
CC1(CC(C(N1[O])(C)C)N2C(=O)C=CC2=O)C
InChI
InChI=1S/C12H17N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h5-6,8H,7H2,1-4H3
InChIKey
HGNHBHXFYUYUIA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

1
Patents

237.12392 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13120 152.4
[M+Na]+ 260.11314 162.1
[M+NH4]+ 255.15774 161.5
[M+K]+ 276.08708 157.9
[M-H]- 236.11664 152.7
[M+Na-2H]- 258.09859 157.9
[M]+ 237.12337 153.9
[M]- 237.12447 153.9
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