CID 5320205

18-nor-4(19),8,11,13-abietatetraene

Structural Information

Molecular Formula
C19H26
SMILES
CC(C)C1=CC2=C(C=C1)C3(CCCC(=C)C3CC2)C
InChI
InChI=1S/C19H26/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-13,17H,3,5-6,8-9,11H2,1-2,4H3
InChIKey
ZPQHNIHJSIZREW-UHFFFAOYSA-N
Compound name
4a-methyl-1-methylidene-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.20345 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.21073 162.3
[M+Na]+ 277.19267 167.8
[M-H]- 253.19617 166.5
[M+NH4]+ 272.23727 183.5
[M+K]+ 293.16661 162.7
[M+H-H2O]+ 237.20071 155.6
[M+HCOO]- 299.20165 176.4
[M+CH3COO]- 313.21730 172.9
[M+Na-2H]- 275.17812 164.8
[M]+ 254.20290 157.2
[M]- 254.20400 157.2
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