CID 518472

74219-20-8

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC1(C2CCC1(C(C2)OC=O)C)C

InChI

InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3

InChIKey

RDWUNORUTVEHJF-UHFFFAOYSA-N

Compound name

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 4584
Patents: 182.13068 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.13796	140.9
[M+Na]+	205.11990	150.1
[M-H]-	181.12340	144.3
[M+NH4]+	200.16450	170.4
[M+K]+	221.09384	147.9
[M+H-H2O]+	165.12794	138.4
[M+HCOO]-	227.12888	162.1
[M+CH3COO]-	241.14453	182.3
[M+Na-2H]-	203.10535	145.7
[M]+	182.13013	143.0
[M]-	182.13123	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe