CID 246917

1837-62-3

Structural Information

Molecular Formula
C11H23NO2
SMILES
CCOC(=O)NC(C)(C)CC(C)(C)C
InChI
InChI=1S/C11H23NO2/c1-7-14-9(13)12-11(5,6)8-10(2,3)4/h7-8H2,1-6H3,(H,12,13)
InChIKey
LKLZMSSRMNNNBH-UHFFFAOYSA-N
Compound name
ethyl N-(2,4,4-trimethylpentan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

201.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.180156 150.1
[M+Na]+ 224.162098 155.6
[M-H]- 200.165604 150.3
[M+NH4]+ 219.206703 169.6
[M+K]+ 240.136038 155.7
[M+H-H2O]+ 184.170140 145.8
[M+HCOO]- 246.171081 170.0
[M+CH3COO]- 260.186731 189.7
[M+Na-2H]- 222.147546 155.2
[M]+ 201.17233142 152.8
[M]- 201.17342858 152.8
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