CID 88220

Diisopropyl bicarbamate

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(C)OC(=O)NNC(=O)OC(C)C
InChI
InChI=1S/C8H16N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)
InChIKey
FBZULTVJWVCJQV-UHFFFAOYSA-N
Compound name
propan-2-yl N-(propan-2-yloxycarbonylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

714
Patents

204.11101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 147.2
[M+Na]+ 227.100228 151.7
[M-H]- 203.103734 147.5
[M+NH4]+ 222.144833 165.6
[M+K]+ 243.074168 153.7
[M+H-H2O]+ 187.108270 141.2
[M+HCOO]- 249.109211 169.8
[M+CH3COO]- 263.124861 189.6
[M+Na-2H]- 225.085676 148.6
[M]+ 204.11046142 148.9
[M]- 204.11155858 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe