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]+ 215.13902 148.9
[M+Na]+ 237.12096 154.9
[M-H]- 213.12446 150.7
[M+NH4]+ 232.16556 168.0
[M+K]+ 253.09490 155.5
[M+H-H2O]+ 197.12900 143.9
[M+HCOO]- 259.12994 172.2
[M+CH3COO]- 273.14559 193.7
[M+Na-2H]- 235.10641 155.5
[M]+ 214.13119 152.3
[M]- 214.13229 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.