CID 64679

Myristyl thiocyanate

Structural Information

Molecular Formula
C15H29NS
SMILES
CCCCCCCCCCCCCCSC#N
InChI
InChI=1S/C15H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16/h2-14H2,1H3
InChIKey
UQRUIZDJWSNXAB-UHFFFAOYSA-N
Compound name
tetradecyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

255.20207 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20935 159.6
[M+Na]+ 278.19129 165.8
[M-H]- 254.19479 159.9
[M+NH4]+ 273.23589 176.1
[M+K]+ 294.16523 162.7
[M+H-H2O]+ 238.19933 147.2
[M+HCOO]- 300.20027 172.6
[M+CH3COO]- 314.21592 209.8
[M+Na-2H]- 276.17674 159.7
[M]+ 255.20152 161.2
[M]- 255.20262 161.2
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

patents stripe