CID 75458585

Tert-butyl n-[1-cyano-3-(propan-2-yloxy)propyl]carbamate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)OCCC(C#N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O3/c1-9(2)16-7-6-10(8-13)14-11(15)17-12(3,4)5/h9-10H,6-7H2,1-5H3,(H,14,15)
InChIKey
QTPPAWBAUSEZNG-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyano-3-propan-2-yloxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.16304 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 159.4
[M+Na]+ 265.152258 165.2
[M-H]- 241.155764 159.7
[M+NH4]+ 260.196863 175.0
[M+K]+ 281.126198 166.2
[M+H-H2O]+ 225.160300 147.4
[M+HCOO]- 287.161241 175.7
[M+CH3COO]- 301.176891 207.9
[M+Na-2H]- 263.137706 160.6
[M]+ 242.16249142 157.6
[M]- 242.16358858 157.6
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