CID 100941

59056-70-1

Structural Information

Molecular Formula
C17H26O2
SMILES
CC1(CCC(C23C14C2CC(C4)C3(C)C)COC=O)C
InChI
InChI=1S/C17H26O2/c1-14(2)6-5-11(9-19-10-18)17-13-7-12(15(17,3)4)8-16(13,14)17/h10-13H,5-9H2,1-4H3
InChIKey
AMKJSSRFMFASCY-UHFFFAOYSA-N
Compound name
(5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl)methyl formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

262.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 158.0
[M+Na]+ 285.18249 168.1
[M-H]- 261.18599 162.4
[M+NH4]+ 280.22709 186.3
[M+K]+ 301.15643 163.2
[M+H-H2O]+ 245.19053 155.8
[M+HCOO]- 307.19147 170.1
[M+CH3COO]- 321.20712 170.0
[M+Na-2H]- 283.16794 162.9
[M]+ 262.19272 167.5
[M]- 262.19382 167.5
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