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

42
Patents

184.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 146.2
[M+Na]+ 207.110408 153.9
[M-H]- 183.113914 147.2
[M+NH4]+ 202.155013 164.1
[M+K]+ 223.084348 154.7
[M+H-H2O]+ 167.118450 135.3
[M+HCOO]- 229.119391 163.4
[M+CH3COO]- 243.135041 196.8
[M+Na-2H]- 205.095856 151.5
[M]+ 184.12064142 142.8
[M]- 184.12173858 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