CID 479948

(6r,9s,10r)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene

Structural Information

Molecular Formula
C16H25N
SMILES
C[C@@H]1CC[C@H]([C@H](C12CCC(=C2)C)[N+]#[C-])C(C)C
InChI
InChI=1S/C16H25N/c1-11(2)14-7-6-13(4)16(15(14)17-5)9-8-12(3)10-16/h10-11,13-15H,6-9H2,1-4H3/t13-,14+,15-,16?/m1/s1
InChIKey
CLJZNXABBGEKKI-IUOOZAAYSA-N
Compound name
(6R,9S,10R)-10-isocyano-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 162.7
[M+Na]+ 254.18792 171.2
[M-H]- 230.19142 166.2
[M+NH4]+ 249.23252 182.3
[M+K]+ 270.16186 159.9
[M+H-H2O]+ 214.19596 155.7
[M+HCOO]- 276.19690 176.6
[M+CH3COO]- 290.21255 196.9
[M+Na-2H]- 252.17337 162.9
[M]+ 231.19815 151.2
[M]- 231.19925 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.