CID 112742

Einecs 263-250-1

Structural Information

Molecular Formula
C17H26O2
SMILES
CC1(CCC(=C2C13CC[C@@H](C3)C2(C)C)COC=O)C
InChI
InChI=1S/C17H26O2/c1-15(2)7-5-12(10-19-11-18)14-16(3,4)13-6-8-17(14,15)9-13/h11,13H,5-10H2,1-4H3/t13-,17?/m0/s1
InChIKey
JQKOBLAHVJOOFB-CWQZNGJJSA-N
Compound name
[(8S)-2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-5-enyl]methyl formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 162.7
[M+Na]+ 285.182488 171.3
[M-H]- 261.185994 167.2
[M+NH4]+ 280.227093 191.6
[M+K]+ 301.156428 167.0
[M+H-H2O]+ 245.190530 159.0
[M+HCOO]- 307.191471 180.4
[M+CH3COO]- 321.207121 198.9
[M+Na-2H]- 283.167936 165.8
[M]+ 262.19272142 164.9
[M]- 262.19381858 164.9
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.