CID 11297963

Spiro[2.4]hepta-4,6-dien-1-ylmethanol

Structural Information

Molecular Formula
C8H10O
SMILES
C1C(C12C=CC=C2)CO
InChI
InChI=1S/C8H10O/c9-6-7-5-8(7)3-1-2-4-8/h1-4,7,9H,5-6H2
InChIKey
BLMKSVPTAFVVFL-UHFFFAOYSA-N
Compound name
spiro[2.4]hepta-4,6-dien-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

122.073166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 122.7
[M+Na]+ 145.062384 133.4
[M-H]- 121.065890 128.7
[M+NH4]+ 140.106989 143.6
[M+K]+ 161.036324 131.0
[M+H-H2O]+ 105.070426 118.5
[M+HCOO]- 167.071367 146.9
[M+CH3COO]- 181.087017 170.2
[M+Na-2H]- 143.047832 130.8
[M]+ 122.07261742 124.8
[M]- 122.07371458 124.8
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