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

6
Patents

177.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10739 139.7
[M+Na]+ 200.08933 144.9
[M-H]- 176.09283 138.6
[M+NH4]+ 195.13393 158.8
[M+K]+ 216.06327 146.2
[M+H-H2O]+ 160.09737 134.4
[M+HCOO]- 222.09831 160.9
[M+CH3COO]- 236.11396 180.8
[M+Na-2H]- 198.07478 142.1
[M]+ 177.09956 141.6
[M]- 177.10066 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