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]+ 263.20055 162.7
[M+Na]+ 285.18249 171.3
[M-H]- 261.18599 167.2
[M+NH4]+ 280.22709 191.6
[M+K]+ 301.15643 167.0
[M+H-H2O]+ 245.19053 159.0
[M+HCOO]- 307.19147 180.4
[M+CH3COO]- 321.20712 198.9
[M+Na-2H]- 283.16794 165.8
[M]+ 262.19272 164.9
[M]- 262.19382 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.