CID 25079297

85136-30-7

Structural Information

Molecular Formula
C11H18O2
SMILES
CC12CCCC1(C(CC2)OC=O)C
InChI
InChI=1S/C11H18O2/c1-10-5-3-6-11(10,2)9(4-7-10)13-8-12/h8-9H,3-7H2,1-2H3
InChIKey
VXKBEDMIXDHHKT-UHFFFAOYSA-N
Compound name
(3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalen-1-yl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 142.2
[M+Na]+ 205.119898 150.0
[M-H]- 181.123404 146.5
[M+NH4]+ 200.164503 170.5
[M+K]+ 221.093838 148.1
[M+H-H2O]+ 165.127940 138.8
[M+HCOO]- 227.128881 163.6
[M+CH3COO]- 241.144531 180.0
[M+Na-2H]- 203.105346 146.3
[M]+ 182.13013142 141.9
[M]- 182.13122858 141.9
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.