CID 2759457

Tert-butyl 2-isocyano-3-methylbutyrate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C)C(C(=O)OC(C)(C)C)[N+]#[C-]
InChI
InChI=1S/C10H17NO2/c1-7(2)8(11-6)9(12)13-10(3,4)5/h7-8H,1-5H3
InChIKey
WEQOFVFTJQSFPM-UHFFFAOYSA-N
Compound name
tert-butyl 2-isocyano-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

183.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 148.4
[M+Na]+ 206.11515 155.9
[M-H]- 182.11865 148.1
[M+NH4]+ 201.15975 165.8
[M+K]+ 222.08909 151.4
[M+H-H2O]+ 166.12319 142.3
[M+HCOO]- 228.12413 163.5
[M+CH3COO]- 242.13978 187.7
[M+Na-2H]- 204.10060 151.4
[M]+ 183.12538 142.2
[M]- 183.12648 142.2
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