CID 456814

4-methylbenzo(d

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC1=NNC(=O)C2C1CCCC2
InChI
InChI=1S/C9H14N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h7-8H,2-5H2,1H3,(H,11,12)
InChIKey
QNAFOZNRMIZFTN-UHFFFAOYSA-N
Compound name
4-methyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 137.0
[M+Na]+ 189.09983 143.4
[M-H]- 165.10333 136.6
[M+NH4]+ 184.14443 155.2
[M+K]+ 205.07377 140.3
[M+H-H2O]+ 149.10787 129.9
[M+HCOO]- 211.10881 151.8
[M+CH3COO]- 225.12446 176.4
[M+Na-2H]- 187.08528 142.4
[M]+ 166.11006 130.5
[M]- 166.11116 130.5
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.