CID 10244717

Nsc617717

Structural Information

Molecular Formula
C19H33NO2
SMILES
CCCCCCCCCCCCC/C=C/C1=N[C@H]1C(=O)OC
InChI
InChI=1S/C19H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20-17)19(21)22-2/h15-16,18H,3-14H2,1-2H3/b16-15+/t18-/m1/s1
InChIKey
UOLCWKPNWDZCIP-WXWBBQJKSA-N
Compound name
methyl (2R)-3-[(E)-pentadec-1-enyl]-2H-azirine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

307.25113 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.25841 182.4
[M+Na]+ 330.24035 188.7
[M-H]- 306.24385 184.2
[M+NH4]+ 325.28495 192.0
[M+K]+ 346.21429 183.3
[M+H-H2O]+ 290.24839 174.0
[M+HCOO]- 352.24933 202.6
[M+CH3COO]- 366.26498 211.6
[M+Na-2H]- 328.22580 182.2
[M]+ 307.25058 192.4
[M]- 307.25168 192.4
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.