CID 9571243

Nsc629002

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC12CCC(=O)/C(=N\N)/C1(CCC2O)CC=C
InChI
InChI=1S/C13H20N2O2/c1-3-6-13-8-5-10(17)12(13,2)7-4-9(16)11(13)15-14/h3,10,17H,1,4-8,14H2,2H3/b15-11+
InChIKey
NLJUNGDDNDQKFM-RVDMUPIBSA-N
Compound name
(4Z)-4-hydrazinylidene-1-hydroxy-7a-methyl-3a-prop-2-enyl-2,3,6,7-tetrahydro-1H-inden-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 151.7
[M+Na]+ 259.14170 158.5
[M-H]- 235.14520 155.2
[M+NH4]+ 254.18630 175.6
[M+K]+ 275.11564 154.8
[M+H-H2O]+ 219.14974 147.6
[M+HCOO]- 281.15068 171.9
[M+CH3COO]- 295.16633 195.2
[M+Na-2H]- 257.12715 155.2
[M]+ 236.15193 146.9
[M]- 236.15303 146.9
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.