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]+ 237.159756 151.7
[M+Na]+ 259.141698 158.5
[M-H]- 235.145204 155.2
[M+NH4]+ 254.186303 175.6
[M+K]+ 275.115638 154.8
[M+H-H2O]+ 219.149740 147.6
[M+HCOO]- 281.150681 171.9
[M+CH3COO]- 295.166331 195.2
[M+Na-2H]- 257.127146 155.2
[M]+ 236.15193142 146.9
[M]- 236.15302858 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.