CID 129984479

169954-70-5

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)(C)OC(=O)NC(C)(C)CN=C=O
InChI
InChI=1S/C10H18N2O3/c1-9(2,3)15-8(14)12-10(4,5)6-11-7-13/h6H2,1-5H3,(H,12,14)
InChIKey
CJTWMOJBXOUGAM-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-isocyanato-2-methylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.139016 148.9
[M+Na]+ 237.120958 154.9
[M-H]- 213.124464 150.7
[M+NH4]+ 232.165563 168.0
[M+K]+ 253.094898 155.5
[M+H-H2O]+ 197.129000 143.9
[M+HCOO]- 259.129941 172.2
[M+CH3COO]- 273.145591 193.7
[M+Na-2H]- 235.106406 155.5
[M]+ 214.13119142 152.3
[M]- 214.13228858 152.3
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

No patent data available for this compound.