CID 77078246

374898-56-3

Structural Information

Molecular Formula
C10H16O
SMILES
C/1C[C@@H]2[C@@H](C2CO)CC/C=C1
InChI
InChI=1S/C10H16O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h1-2,8-11H,3-7H2/b2-1-/t8-,9+,10?
InChIKey
NXQRWDARQUYASW-RLWGHQLRSA-N
Compound name
[(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 132.3
[M+Na]+ 175.109338 137.9
[M-H]- 151.112844 134.5
[M+NH4]+ 170.153943 140.2
[M+K]+ 191.083278 137.8
[M+H-H2O]+ 135.117380 129.4
[M+HCOO]- 197.118321 141.6
[M+CH3COO]- 211.133971 220.4
[M+Na-2H]- 173.094786 134.8
[M]+ 152.11957142 132.6
[M]- 152.12066858 132.6
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