CID 10921747

Dimethyl carbate

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

COC(=O)[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)OC)C=C2

InChI

InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3/t6-,7+,8-,9+

InChIKey

VGQLNJWOULYVFV-SPJNRGJMSA-N

Compound name

dimethyl (1R,2S,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5490
Patents: 210.0892 Da
Monoisotopic Mass: 1.0
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]+	211.09648	147.3
[M+Na]+	233.07842	155.0
[M-H]-	209.08192	150.6
[M+NH4]+	228.12302	171.4
[M+K]+	249.05236	154.4
[M+H-H2O]+	193.08646	143.5
[M+HCOO]-	255.08740	168.6
[M+CH3COO]-	269.10305	186.2
[M+Na-2H]-	231.06387	148.3
[M]+	210.08865	151.0
[M]-	210.08975	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe