CID 45092391

351029-70-4

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(CNC(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C9H16N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,6H2,1-4H3,(H,11,12)
InChIKey
WSUKSIUVTGLCTO-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-cyanopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

184.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 143.3
[M+Na]+ 207.11041 150.7
[M+NH4]+ 202.15501 146.1
[M+K]+ 223.08435 144.4
[M-H]- 183.11391 134.6
[M+Na-2H]- 205.09586 143.1
[M]+ 184.12064 140.7
[M]- 184.12174 140.7
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