CID 600162

57040-46-7

Structural Information

Molecular Formula
C16H26
SMILES
CCCC12CC3CC(C1)CC(C3)(C2)C=CC
InChI
InChI=1S/C16H26/c1-3-5-15-8-13-7-14(9-15)11-16(10-13,12-15)6-4-2/h3,5,13-14H,4,6-12H2,1-2H3
InChIKey
CRKGQMSUXYSVOM-UHFFFAOYSA-N
Compound name
1-prop-1-enyl-3-propyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.20345 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.210726 159.0
[M+Na]+ 241.192668 161.2
[M-H]- 217.196174 154.1
[M+NH4]+ 236.237273 186.2
[M+K]+ 257.166608 156.1
[M+H-H2O]+ 201.200710 151.8
[M+HCOO]- 263.201651 165.1
[M+CH3COO]- 277.217301 167.1
[M+Na-2H]- 239.178116 168.2
[M]+ 218.20290142 158.7
[M]- 218.20399858 158.7
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.