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]+ 243.17032 159.4
[M+Na]+ 265.15226 165.2
[M-H]- 241.15576 159.7
[M+NH4]+ 260.19686 175.0
[M+K]+ 281.12620 166.2
[M+H-H2O]+ 225.16030 147.4
[M+HCOO]- 287.16124 175.7
[M+CH3COO]- 301.17689 207.9
[M+Na-2H]- 263.13771 160.6
[M]+ 242.16249 157.6
[M]- 242.16359 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