CID 589315

Gghshmddlqqhqc-uhfffaoysa-n

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(C)C1CCC2(C(C1C=C2COC=O)COC=O)C
InChI
InChI=1S/C16H24O4/c1-11(2)13-4-5-16(3)12(7-19-9-17)6-14(13)15(16)8-20-10-18/h6,9-11,13-15H,4-5,7-8H2,1-3H3
InChIKey
GGHSHMDDLQQHQC-UHFFFAOYSA-N
Compound name
[7-(formyloxymethyl)-1-methyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.174726 166.0
[M+Na]+ 303.156668 172.7
[M-H]- 279.160174 168.4
[M+NH4]+ 298.201273 187.7
[M+K]+ 319.130608 170.5
[M+H-H2O]+ 263.164710 161.5
[M+HCOO]- 325.165651 184.3
[M+CH3COO]- 339.181301 202.4
[M+Na-2H]- 301.142116 167.7
[M]+ 280.16690142 170.8
[M]- 280.16799858 170.8
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.