CID 24153

16868-12-5

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CC(=C)C(=O)OC1CC2CCC1(C2(C)C)C

InChI

InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3

InChIKey

IAXXETNIOYFMLW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2
References: 62417
Patents: 222.16199 Da
Monoisotopic Mass: 4.3
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]+	223.16927	154.5
[M+Na]+	245.15121	162.2
[M-H]-	221.15471	157.5
[M+NH4]+	240.19581	182.2
[M+K]+	261.12515	159.7
[M+H-H2O]+	205.15925	152.1
[M+HCOO]-	267.16019	172.8
[M+CH3COO]-	281.17584	191.4
[M+Na-2H]-	243.13666	155.3
[M]+	222.16144	155.5
[M]-	222.16254	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe