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

22
Patents

196.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 144.3
[M+Na]+ 219.110408 158.2
[M-H]- 195.113914 150.8
[M+NH4]+ 214.155013 161.0
[M+K]+ 235.084348 154.0
[M+H-H2O]+ 179.118450 136.4
[M+HCOO]- 241.119391 164.5
[M+CH3COO]- 255.135041 199.8
[M+Na-2H]- 217.095856 152.0
[M]+ 196.12064142 145.3
[M]- 196.12173858 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