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

11
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 144.8
[M+Na]+ 207.11041 152.0
[M-H]- 183.11391 145.5
[M+NH4]+ 202.15501 162.6
[M+K]+ 223.08435 152.7
[M+H-H2O]+ 167.11845 133.4
[M+HCOO]- 229.11939 162.5
[M+CH3COO]- 243.13504 197.2
[M+Na-2H]- 205.09586 148.3
[M]+ 184.12064 141.3
[M]- 184.12174 141.3
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