CID 20155843

128304-84-7

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)(C)OC(=O)N(C)CCC#N
InChI
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5,7H2,1-4H3
InChIKey
KCQYOLSGKPTZIS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-cyanoethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

184.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 142.7
[M+Na]+ 207.11041 150.6
[M+NH4]+ 202.15501 145.9
[M+K]+ 223.08435 144.0
[M-H]- 183.11391 134.5
[M+Na-2H]- 205.09586 143.1
[M]+ 184.12064 140.4
[M]- 184.12174 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe