CID 22051805

(octahydro-4,7-methano-1h-indenyl)methyl acrylate

Structural Information

Molecular Formula
C14H20O2
SMILES
C=CC(=O)OCC1CCC2C1C3CCC2C3
InChI
InChI=1S/C14H20O2/c1-2-13(15)16-8-11-5-6-12-9-3-4-10(7-9)14(11)12/h2,9-12,14H,1,3-8H2
InChIKey
PMPNHSZLJPXGCD-UHFFFAOYSA-N
Compound name
3-tricyclo[5.2.1.02,6]decanylmethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

220.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 158.1
[M+Na]+ 243.135548 163.9
[M-H]- 219.139054 161.3
[M+NH4]+ 238.180153 184.1
[M+K]+ 259.109488 160.8
[M+H-H2O]+ 203.143590 154.5
[M+HCOO]- 265.144531 176.4
[M+CH3COO]- 279.160181 190.0
[M+Na-2H]- 241.120996 156.3
[M]+ 220.14578142 157.1
[M]- 220.14687858 157.1
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