CID 22325136

Tert-butyl (1-(cyanomethyl)cyclopropyl)carbamate

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)(C)OC(=O)NC1(CC1)CC#N
InChI
InChI=1S/C10H16N2O2/c1-9(2,3)14-8(13)12-10(4-5-10)6-7-11/h4-6H2,1-3H3,(H,12,13)
InChIKey
HEILYIARKHMAGU-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(cyanomethyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

196.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 144.3
[M+Na]+ 219.11041 158.2
[M-H]- 195.11391 150.8
[M+NH4]+ 214.15501 161.0
[M+K]+ 235.08435 154.0
[M+H-H2O]+ 179.11845 136.4
[M+HCOO]- 241.11939 164.5
[M+CH3COO]- 255.13504 199.8
[M+Na-2H]- 217.09586 152.0
[M]+ 196.12064 145.3
[M]- 196.12174 145.3
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