CID 21971

Tetradecahydrophenanthrene

Structural Information

Molecular Formula
C14H24
SMILES
C1CCC2C(C1)CCC3C2CCCC3
InChI
InChI=1S/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2
InChIKey
GNMCGMFNBARSIY-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

4402
Patents

192.1878 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.19508 145.3
[M+Na]+ 215.17702 146.8
[M-H]- 191.18052 148.0
[M+NH4]+ 210.22162 166.1
[M+K]+ 231.15096 143.4
[M+H-H2O]+ 175.18506 138.5
[M+HCOO]- 237.18600 157.5
[M+CH3COO]- 251.20165 155.1
[M+Na-2H]- 213.16247 149.0
[M]+ 192.18725 134.3
[M]- 192.18835 134.3
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