CID 13202589

37773-02-7

Structural Information

Molecular Formula
C6H14Se
SMILES
CC(C)[Se]C(C)C
InChI
InChI=1S/C6H14Se/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKey
LQIKDUWYQKLRNS-UHFFFAOYSA-N
Compound name
2-propan-2-ylselanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

166.02608 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.033356 135.9
[M+Na]+ 189.015298 141.9
[M-H]- 165.018804 135.8
[M+NH4]+ 184.059903 158.8
[M+K]+ 204.989238 142.1
[M+H-H2O]+ 149.023340 131.2
[M+HCOO]- 211.024281 156.7
[M+CH3COO]- 225.039931 174.4
[M+Na-2H]- 187.000746 138.9
[M]+ 166.02553142 136.3
[M]- 166.02662858 136.3
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