CID 11996452

Viridiflorol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CC[C@]2(C)O
InChI
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15+/m1/s1
InChIKey
AYXPYQRXGNDJFU-IMNVLQEYSA-N
Compound name
(1aR,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

55
References

2620
Patents

222.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 146.5
[M+Na]+ 245.18758 154.3
[M-H]- 221.19108 152.2
[M+NH4]+ 240.23218 166.1
[M+K]+ 261.16152 152.7
[M+H-H2O]+ 205.19562 143.9
[M+HCOO]- 267.19656 160.6
[M+CH3COO]- 281.21221 158.0
[M+Na-2H]- 243.17303 149.3
[M]+ 222.19781 144.7
[M]- 222.19891 144.7
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