CID 44153622

Einecs 298-388-1

Structural Information

Molecular Formula
C16H26O2
SMILES
CC1(CCCC2(C13CCC(C3)C2(C)C)OC=O)C
InChI
InChI=1S/C16H26O2/c1-13(2)7-5-8-16(18-11-17)14(3,4)12-6-9-15(13,16)10-12/h11-12H,5-10H2,1-4H3
InChIKey
ASZSCIVQNNENQP-UHFFFAOYSA-N
Compound name
(2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-9-yl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 159.5
[M+Na]+ 273.182498 167.8
[M-H]- 249.186004 163.8
[M+NH4]+ 268.227103 190.3
[M+K]+ 289.156438 163.8
[M+H-H2O]+ 233.190540 156.0
[M+HCOO]- 295.191481 176.0
[M+CH3COO]- 309.207131 195.3
[M+Na-2H]- 271.167946 163.8
[M]+ 250.19273142 160.0
[M]- 250.19382858 160.0
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

No patent data available for this compound.