CID 212901

25384-32-1

Structural Information

Molecular Formula
C12H25NO3
SMILES
CCCC(C)(CO)COC(=O)NC(C)CC
InChI
InChI=1S/C12H25NO3/c1-5-7-12(4,8-14)9-16-11(15)13-10(3)6-2/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKey
HKTXFTWRXBMFPB-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-methylpentyl] N-butan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.18344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.19072 159.2
[M+Na]+ 254.17266 163.0
[M-H]- 230.17616 157.4
[M+NH4]+ 249.21726 176.4
[M+K]+ 270.14660 162.5
[M+H-H2O]+ 214.18070 153.9
[M+HCOO]- 276.18164 178.0
[M+CH3COO]- 290.19729 193.2
[M+Na-2H]- 252.15811 161.1
[M]+ 231.18289 161.7
[M]- 231.18399 161.7
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.