CID 68533

2-butanol, 2-methyl-, carbamate

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCC(C)(C)OC(=O)N
InChI
InChI=1S/C6H13NO2/c1-4-6(2,3)9-5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKey
AUQKXXDHDKEBEY-UHFFFAOYSA-N
Compound name
2-methylbutan-2-yl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4895
Patents

131.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.1
[M+Na]+ 154.08386 135.1
[M-H]- 130.08736 128.3
[M+NH4]+ 149.12846 149.9
[M+K]+ 170.05780 135.7
[M+H-H2O]+ 114.09190 124.0
[M+HCOO]- 176.09284 150.5
[M+CH3COO]- 190.10849 174.7
[M+Na-2H]- 152.06931 133.8
[M]+ 131.09409 128.6
[M]- 131.09519 128.6
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