CID 18316698

133117-97-2

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)(C)OC(=O)NC(C)(C)C#N
InChI
InChI=1S/C9H16N2O2/c1-8(2,3)13-7(12)11-9(4,5)6-10/h1-5H3,(H,11,12)
InChIKey
GIGXCVOTKUOLHM-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-cyanopropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

184.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 146.2
[M+Na]+ 207.11041 153.9
[M-H]- 183.11391 147.2
[M+NH4]+ 202.15501 164.1
[M+K]+ 223.08435 154.7
[M+H-H2O]+ 167.11845 135.3
[M+HCOO]- 229.11939 163.4
[M+CH3COO]- 243.13504 196.8
[M+Na-2H]- 205.09586 151.5
[M]+ 184.12064 142.8
[M]- 184.12174 142.8
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