CID 25076548

1-pentalenol, octahydro-, 1-formate

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC2CCC(C2C1)OC=O
InChI
InChI=1S/C9H14O2/c10-6-11-9-5-4-7-2-1-3-8(7)9/h6-9H,1-5H2
InChIKey
LIERIUBKWIGWPD-UHFFFAOYSA-N
Compound name
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 134.6
[M+Na]+ 177.08860 141.2
[M-H]- 153.09210 138.5
[M+NH4]+ 172.13320 160.0
[M+K]+ 193.06254 140.0
[M+H-H2O]+ 137.09664 130.0
[M+HCOO]- 199.09758 156.7
[M+CH3COO]- 213.11323 174.7
[M+Na-2H]- 175.07405 137.3
[M]+ 154.09883 132.9
[M]- 154.09993 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.