CID 110661

5460-46-8

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1(C2CCC(C2)(C1OC=O)C)C
InChI
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(3,6-8)9(10)13-7-12/h7-9H,4-6H2,1-3H3
InChIKey
UXXVYTHORUZOJA-UHFFFAOYSA-N
Compound name
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

182.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 140.9
[M+Na]+ 205.119898 150.1
[M-H]- 181.123404 144.3
[M+NH4]+ 200.164503 170.4
[M+K]+ 221.093838 147.9
[M+H-H2O]+ 165.127940 138.4
[M+HCOO]- 227.128881 162.1
[M+CH3COO]- 241.144531 182.3
[M+Na-2H]- 203.105346 145.7
[M]+ 182.13013142 143.0
[M]- 182.13122858 143.0
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

patents stripe