CID 53380994

1263166-90-0

Structural Information

Molecular Formula
C10H14O
SMILES
C1C[C@@H]2[C@@H](C2CO)CCC#C1
InChI
InChI=1S/C10H14O/c11-7-10-8-5-3-1-2-4-6-9(8)10/h8-11H,3-7H2/t8-,9+,10?
InChIKey
NSVXZMGWYBICRW-ULKQDVFKSA-N
Compound name
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

612
Patents

150.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 133.0
[M+Na]+ 173.09368 138.2
[M-H]- 149.09718 135.0
[M+NH4]+ 168.13828 140.9
[M+K]+ 189.06762 138.2
[M+H-H2O]+ 133.10172 130.1
[M+HCOO]- 195.10266 141.8
[M+CH3COO]- 209.11831 220.4
[M+Na-2H]- 171.07913 135.1
[M]+ 150.10391 132.8
[M]- 150.10501 132.8
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