CID 40311

Isobutyl n,n-dimethylolcarbamate

Structural Information

Molecular Formula
C7H15NO4
SMILES
CC(C)COC(=O)N(CO)CO
InChI
InChI=1S/C7H15NO4/c1-6(2)3-12-7(11)8(4-9)5-10/h6,9-10H,3-5H2,1-2H3
InChIKey
SINROXZVULQBQU-UHFFFAOYSA-N
Compound name
2-methylpropyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

177.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.107386 139.7
[M+Na]+ 200.089328 144.9
[M-H]- 176.092834 138.6
[M+NH4]+ 195.133933 158.8
[M+K]+ 216.063268 146.2
[M+H-H2O]+ 160.097370 134.4
[M+HCOO]- 222.098311 160.9
[M+CH3COO]- 236.113961 180.8
[M+Na-2H]- 198.074776 142.1
[M]+ 177.09956142 141.6
[M]- 177.10065858 141.6
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